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Chemical ID: 7257816

Chemical ID:

7257816

Name [?]:

ethyl 4-[3-(2-chlorophenyl)propanoylamino]benzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)NC(=O)CCc2ccccc2Cl

InChi [?]:

InChI=1/C18H18ClNO3/c1-2-23-18(22)14-7-10-15(11-8-14)20-17(21)12-9-13-5-3-4-6-16(13)19/h3-8,10-11H,2,9,12H2,1H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,19,20,18,21,7,11,16,8,10,15,17,6,9,22,13,4,23,12,14,5,3/E:(7,8)(10,11)/rA:23nCCOCOCCCCCCNCOCCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈ClNO₃
All Atoms:	41
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2064
Area:	561.435
Solvation:	-2.82947
Coulombic:	-41.8789

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	331.793
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.95
LogP (Chemaxon):	4.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value