2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide

C13H18ClN3O2 — CID 26506580

IUPAC2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O2/c1-9(2)7-16-13(19)17-12(18)8-15-11-5-3-10(14)4-6-11/h3-6,9,15H,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyPCKINNIYCXKJJC-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.23
Rot. Bonds5

About 2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide

2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 26506580) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID26506580
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CNc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O2/c1-9(2)7-16-13(19)17-12(18)8-15-11-5-3-10(14)4-6-11/h3-6,9,15H,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyPCKINNIYCXKJJC-UHFFFAOYSA-N
XLogP2.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506069
2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 47107205
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9166530
2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 47107125
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9253724
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878911
N-(2-methylpropyl)-2-(4-phenylanilino)acetamide
CID 60647076

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide (CID 26506580) is 2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CNc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is PCKINNIYCXKJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9(2)7-16-13(19)17-12(18)8-15-11-5-3-10(14)4-6-11/h3-6,9,15H,7-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide?
2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 283.76 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 26506580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).