4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide

C16H17ClN4O2 — CID 139006181

IUPAC4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)Cc1cncnc1
InChIInChI=1S/C16H17ClN4O2/c1-2-5-20-16(23)13-4-3-12(17)7-14(13)21-15(22)6-11-8-18-10-19-9-11/h3-4,7-10H,2,5-6H2,1H3,(H,20,23)(H,21,22)
InChIKeyYSOXUSCLWRGPGZ-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.45
Rot. Bonds6

About 4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide

4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide (PubChem CID 139006181) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide
PubChem CID139006181
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)Cc1cncnc1
InChIInChI=1S/C16H17ClN4O2/c1-2-5-20-16(23)13-4-3-12(17)7-14(13)21-15(22)6-11-8-18-10-19-9-11/h3-4,7-10H,2,5-6H2,1H3,(H,20,23)(H,21,22)
InChIKeyYSOXUSCLWRGPGZ-UHFFFAOYSA-N
XLogP2.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide
CID 55896752
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
4-[5-chloro-2-(propylcarbamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133655
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55917656
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
CID 87026899
4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52704581
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide
CID 55993622

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide?
The IUPAC name of 4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide (CID 139006181) is 4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide?
The canonical SMILES for 4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)Cc1cncnc1.
What is the InChIKey of 4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide?
The InChIKey is YSOXUSCLWRGPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-2-5-20-16(23)13-4-3-12(17)7-14(13)21-15(22)6-11-8-18-10-19-9-11/h3-4,7-10H,2,5-6H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide?
4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide has a molecular weight of 332.79 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide is sourced from PubChem (CID 139006181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).