2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide

C21H19ClN4O2 — CID 44561878

IUPAC2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C21H19ClN4O2/c1-26(2)17-7-3-5-14(11-17)20(27)24-15-8-9-19(22)18(12-15)21(28)25-16-6-4-10-23-13-16/h3-13H,1-2H3,(H,24,27)(H,25,28)
InChIKeyFWDFANUPSHXNBN-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.31
Rot. Bonds5

About 2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide

2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide (PubChem CID 44561878) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide
PubChem CID44561878
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1
InChIInChI=1S/C21H19ClN4O2/c1-26(2)17-7-3-5-14(11-17)20(27)24-15-8-9-19(22)18(12-15)21(28)25-16-6-4-10-23-13-16/h3-13H,1-2H3,(H,24,27)(H,25,28)
InChIKeyFWDFANUPSHXNBN-UHFFFAOYSA-N
XLogP4.31
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 44561916
2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 44561918
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191
5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848540
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 24961098
2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
CID 107033296
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide (CID 44561878) is 2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide is CN(C)c1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1.
What is the InChIKey of 2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide?
The InChIKey is FWDFANUPSHXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-26(2)17-7-3-5-14(11-17)20(27)24-15-8-9-19(22)18(12-15)21(28)25-16-6-4-10-23-13-16/h3-13H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide?
2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide has a molecular weight of 394.86 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 44561878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).