Chemical ID: 4747736

CC(C)c1ccc(cc1)NC(=O)c2ccccc2N
Chemical ID:
4747736
Name [?]:
2-amino-N-(4-isopropylphenyl)-benzamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)c2ccccc2N
InChi [?]:
InChI=1/C16H18N2O/c1-11(2)12-7-9-13(10-8-12)18-16(19)14-5-3-4-6-15(14)17/h3-11H,17H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,14,17,5,9,6,8,2,4,7,13,18,11,19,10,12/E:(1,2)(7,8)(9,10)/rA:19nCCCCCCCCCNCOCCCCCCN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.51737
Area:456.705
Solvation:-1.90024
Coulombic:-40.1691
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:254.327
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:4.01
LogP (Chemaxon):4.16

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