3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide

C21H20ClN3O — CID 58337623

IUPAC3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide
SMILESCCCN(c1cccnc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H20ClN3O/c1-2-12-25(20-10-5-11-23-15-20)19-9-4-8-18(14-19)24-21(26)16-6-3-7-17(22)13-16/h3-11,13-15H,2,12H2,1H3,(H,24,26)
InChIKeyWMGWZTVBHLCQNA-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.54
Rot. Bonds6

About 3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide

3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide (PubChem CID 58337623) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide
PubChem CID58337623
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide
SMILESCCCN(c1cccnc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H20ClN3O/c1-2-12-25(20-10-5-11-23-15-20)19-9-4-8-18(14-19)24-21(26)16-6-3-7-17(22)13-16/h3-11,13-15H,2,12H2,1H3,(H,24,26)
InChIKeyWMGWZTVBHLCQNA-UHFFFAOYSA-N
XLogP5.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide
CID 58337764
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-chloro-N-pyridin-4-ylbenzamide
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3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
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N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264675
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide
CID 44561878
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
3-chloro-N-(3-methylphenyl)benzamide
CID 722373

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide (CID 58337623) is 3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide is CCCN(c1cccnc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide?
The InChIKey is WMGWZTVBHLCQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-2-12-25(20-10-5-11-23-15-20)19-9-4-8-18(14-19)24-21(26)16-6-3-7-17(22)13-16/h3-11,13-15H,2,12H2,1H3,(H,24,26).
What are the key properties of 3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide?
3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide has a molecular weight of 365.86 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 58337623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).