4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide

C16H17ClN4O4 — CID 55993622

IUPAC4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H17ClN4O4/c1-2-6-18-15(24)11-4-3-10(17)8-12(11)19-14(23)9-21-7-5-13(22)20-16(21)25/h3-5,7-8H,2,6,9H2,1H3,(H,18,24)(H,19,23)(H,20,22,25)
InChIKeyNSPFJFWFUSYZQW-UHFFFAOYSA-N
MW364.79 g/mol
LogP0.97
Rot. Bonds6

About 4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide

4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide (PubChem CID 55993622) has the molecular formula C16H17ClN4O4 and a molecular weight of 364.79 g/mol. Its IUPAC name is 4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide
PubChem CID55993622
Molecular FormulaC16H17ClN4O4
Molecular Weight364.79 g/mol
Exact Mass364.09
IUPAC Name4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H17ClN4O4/c1-2-6-18-15(24)11-4-3-10(17)8-12(11)19-14(23)9-21-7-5-13(22)20-16(21)25/h3-5,7-8H,2,6,9H2,1H3,(H,18,24)(H,19,23)(H,20,22,25)
InChIKeyNSPFJFWFUSYZQW-UHFFFAOYSA-N
XLogP0.97
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
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-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide
CID 139006181
4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55917656
4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide
CID 55896752
N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801689
4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
CID 87026899
4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52704581

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide (CID 55993622) is 4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide?
The InChIKey is NSPFJFWFUSYZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O4/c1-2-6-18-15(24)11-4-3-10(17)8-12(11)19-14(23)9-21-7-5-13(22)20-16(21)25/h3-5,7-8H,2,6,9H2,1H3,(H,18,24)(H,19,23)(H,20,22,25).
What are the key properties of 4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide?
4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide has a molecular weight of 364.79 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 55993622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).