ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 6876168

Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3C)Cl)C

Chemical ID:

6876168

Name [?]:

N-(3-chloro-2-methyl-phenyl)-4-[(2,5-dimethylphenyl)carbamoylmethoxy]benzamide

SMILES [?]:

Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3C)Cl)C

InChi [?]:

InChI=1/C24H23ClN2O3/c1-15-7-8-16(2)22(13-15)26-23(28)14-30-19-11-9-18(10-12-19)24(29)27-21-6-4-5-20(25)17(21)3/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,30,28,24,25,23,3,4,15,17,14,18,7,11,2,5,27,16,13,26,22,6,9,19,29,8,21,10,20,12/E:(9,10)(11,12)/rA:30nCCCCCCCNCOCOCCCCCCCONCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃ClN₂O₃
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6327
Area:	667.146
Solvation:	-5.04596
Coulombic:	-50.6664

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	422.904
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.16
LogP (Chemaxon):	4.55

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value