2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide

C16H17ClN4O2 — CID 39186247

IUPAC2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O2/c1-10-2-5-13(19-15(22)9-18)8-14(10)21-16(23)20-12-6-3-11(17)4-7-12/h2-8H,9,18H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyQIYUPSWCCBJGRK-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.19
Rot. Bonds4

About 2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide

2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide (PubChem CID 39186247) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide
PubChem CID39186247
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O2/c1-10-2-5-13(19-15(22)9-18)8-14(10)21-16(23)20-12-6-3-11(17)4-7-12/h2-8H,9,18H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyQIYUPSWCCBJGRK-UHFFFAOYSA-N
XLogP3.19
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide
CID 146654172
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
CID 62103362
3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 7657756
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
CID 82034507
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamothioylamino]-4-methylphenyl]thiourea
CID 6481333
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3342443
1,3-bis[3-(4-chloroanilino)sulfanyl-4-methylphenyl]urea
CID 144610213

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide?
The IUPAC name of 2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide (CID 39186247) is 2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CN)cc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide?
The InChIKey is QIYUPSWCCBJGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-10-2-5-13(19-15(22)9-18)8-14(10)21-16(23)20-12-6-3-11(17)4-7-12/h2-8H,9,18H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide?
2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide has a molecular weight of 332.79 g/mol, XLogP of 3.19, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 39186247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).