Chemical ID: 3997181

CN(Cc1ccccc1)C(=O)c2ccccc2C(=O)O
Chemical ID:
3997181
Name [?]:
2-(benzyl-methyl-carbamoyl)benzoic acid
SMILES [?]:
CN(Cc1ccccc1)C(=O)c2ccccc2C(=O)O
InChi [?]:
InChI=1/C16H15NO3/c1-17(11-12-7-3-2-4-8-12)15(18)13-9-5-6-10-14(13)16(19)20/h2-10H,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,14,15,5,9,13,16,3,4,12,17,10,18,2,11,19,20/E:(3,4)(7,8)(19,20)/rA:20nCNCCCCCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.12739
Area:450.935
Solvation:-3.14598
Coulombic:-46.1398
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.295
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.89
LogP (Chemaxon):2.48

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Descriptor Annotations

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