Chemical ID: 7044510

CC1(C(CCC1(C)C(=O)O)(C)C(=O)Nc2ccccc2Cl)C
Chemical ID:
7044510
Name [?]:
3-[(2-chlorophenyl)carbamoyl]-1,2,2,3-tetramethyl-cyclopentane-1-carboxylic acid
SMILES [?]:
CC1(C(CCC1(C)C(=O)O)(C)C(=O)Nc2ccccc2Cl)C
InChi [?]:
InChI=1/C17H22ClNO3/c1-15(2)16(3,9-10-17(15,4)14(21)22)13(20)19-12-8-6-5-7-11(12)18/h5-8H,9-10H2,1-4H3,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,11,7,18,17,19,16,4,5,20,15,12,8,2,3,6,21,14,13,9,10/E:(1,2)(21,22)/rA:22cCCCCCCCCOOCCONCCCCCCClC/rB:s1;s2;s3;s4;s2s5;s6;s6;d8;s8;s3;s3;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22ClNO3
All Atoms:44
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.72218
Area:483.041
Solvation:-2.35385
Coulombic:-49.7575
Bond Count [?]
All:23
Single:18
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.814
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.39
LogP (Chemaxon):4.14

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