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Chemical ID: 4441943

Chemical ID:

4441943

Name [?]:

[4-[(4-chlorophenyl)carbamoyl]phenyl] propanoate

SMILES [?]:

CCC(=O)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)Cl

InChi [?]:

InChI=1/C16H14ClNO3/c1-2-15(19)21-14-9-3-11(4-10-14)16(20)18-13-7-5-12(17)6-8-13/h3-10H,2H2,1H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,2,8,10,17,19,16,20,7,11,9,18,15,6,3,12,21,14,4,13,5/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCOOCCCCCCCONCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄ClNO₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0988
Area:	514.755
Solvation:	-2.77012
Coulombic:	-40.5081

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	303.74
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.65
LogP (Chemaxon):	3.75

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