ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 6675241

Chemical ID:

6675241

Name [?]:

N-[(4-chlorophenyl)carbamoyl]butanamide

SMILES [?]:

CCCC(=O)NC(=O)Nc1ccc(cc1)Cl

InChi [?]:

InChI=1/C11H13ClN2O2/c1-2-3-10(15)14-11(16)13-9-6-4-8(12)5-7-9/h4-7H,2-3H2,1H3,(H2,13,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,2,3,12,14,11,15,13,10,4,7,16,9,6,5,8/E:(4,5)(6,7)/rA:16nCCCCONCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₃ClN₂O₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.19983
Area:	431.374
Solvation:	-3.58452
Coulombic:	-41.2592

Bond Count [?]

All:	16
Single:	11
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	240.686
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.24
LogP (Chemaxon):	2.64

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