2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide

C14H19ClN4O3 — CID 60602911

IUPAC2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1cc(Cl)ccc1NC(C)=O
InChIInChI=1S/C14H19ClN4O3/c1-3-6-16-14(22)19-13(21)8-17-12-7-10(15)4-5-11(12)18-9(2)20/h4-5,7,17H,3,6,8H2,1-2H3,(H,18,20)(H2,16,19,21,22)
InChIKeyBZVVKJNUGGSESY-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.95
Rot. Bonds6

About 2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide

2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide (PubChem CID 60602911) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide
PubChem CID60602911
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1cc(Cl)ccc1NC(C)=O
InChIInChI=1S/C14H19ClN4O3/c1-3-6-16-14(22)19-13(21)8-17-12-7-10(15)4-5-11(12)18-9(2)20/h4-5,7,17H,3,6,8H2,1-2H3,(H,18,20)(H2,16,19,21,22)
InChIKeyBZVVKJNUGGSESY-UHFFFAOYSA-N
XLogP1.95
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide
CID 37475095
4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55917656
2-(2-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide
CID 134008013
N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide
CID 111770376
2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide
CID 42068134
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52704581
2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 60603019

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide (CID 60602911) is 2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CNc1cc(Cl)ccc1NC(C)=O.
What is the InChIKey of 2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide?
The InChIKey is BZVVKJNUGGSESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O3/c1-3-6-16-14(22)19-13(21)8-17-12-7-10(15)4-5-11(12)18-9(2)20/h4-5,7,17H,3,6,8H2,1-2H3,(H,18,20)(H2,16,19,21,22).
What are the key properties of 2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide?
2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide has a molecular weight of 326.78 g/mol, XLogP of 1.95, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 60602911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).