Chemical ID: 5976282

CCCNC(=O)c1cc(ccc1N(C)C)NC(=O)c2cccc(c2)Cl
Chemical ID:
5976282
Name [?]:
5-(3-chlorobenzoyl)amino-2-dimethylamino-N-propyl-benzamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N(C)C)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C19H22ClN3O2/c1-4-10-21-19(25)16-12-15(8-9-17(16)23(2)3)22-18(24)13-6-5-7-14(20)11-13/h5-9,11-12H,4,10H2,1-3H3,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,21,20,22,10,11,3,24,8,19,23,9,7,12,17,5,25,4,16,13,18,6/E:(2,3)/rA:25nCCCNCOCCCCCCNCCNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s13;s9;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0368
Area:595.979
Solvation:-3.86271
Coulombic:-49.4585
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:359.85
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.01
LogP (Chemaxon):3.59

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue