Chemical ID: 3872438

CC(C(=O)NC1CCCC1)N(Cc2ccccc2Cl)C(=O)c3ccc(c(c3)OC)OC
Chemical ID:
3872438
Name [?]:
N-[(2-chlorophenyl)methyl]-N-[1-(cyclopentylcarbamoyl)ethyl]-3,4-dimethoxy-benzamide
SMILES [?]:
CC(C(=O)NC1CCCC1)N(Cc2ccccc2Cl)C(=O)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C24H29ClN2O4/c1-16(23(28)26-19-9-5-6-10-19)27(15-18-8-4-7-11-20(18)25)24(29)17-12-13-21(30-2)22(14-17)31-3/h4,7-8,11-14,16,19H,5-6,9-10,15H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,31,29,15,8,9,16,14,7,10,17,23,24,27,12,2,22,13,6,18,25,26,3,20,19,5,11,4,21,30,28/E:(5,6)(9,10)/rA:31cCCCONCCCCCNCCCCCCCClCOCCCCCCOCOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s6s9;s2;s11;s12;s13;d14;s15;d16;d13s17;s18;s11;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29ClN2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.18557
Area:613.839
Solvation:-6.16042
Coulombic:-54.0586
Bond Count [?]
All:33
Single:25
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:444.951
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.42
LogP (Chemaxon):3.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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