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Chemical ID: 3872438
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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