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Chemical ID: 6884167

Cc1cc(ccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3OC)Cl

Chemical ID:

6884167

Name [?]:

N-(4-chloro-2-methyl-phenyl)-4-[(2-methoxyphenyl)carbamoylmethoxy]benzamide

SMILES [?]:

Cc1cc(ccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3OC)Cl

InChi [?]:

InChI=1/C23H21ClN2O4/c1-15-13-17(24)9-12-19(15)26-23(28)16-7-10-18(11-8-16)30-14-22(27)25-20-5-3-4-6-21(20)29-2/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,29,24,25,23,26,12,16,5,13,15,6,3,18,2,11,4,14,7,22,27,19,9,30,21,8,20,10,28,17/E:(7,8)(10,11)/rA:30nCCCCCCCNCOCCCCCCOCCONCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁ClN₂O₄
All Atoms:	51
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7998
Area:	668.47
Solvation:	-5.91193
Coulombic:	-58.305

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	424.877
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.41
LogP (Chemaxon):	4.01

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