2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide

C17H19ClN4O2 — CID 138509170

IUPAC2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(N)C(=O)c2cccc(Cl)c2N)cc1
InChIInChI=1S/C17H19ClN4O2/c1-11-5-7-12(8-6-11)9-21-15(23)10-22(20)17(24)13-3-2-4-14(18)16(13)19/h2-8H,9-10,19-20H2,1H3,(H,21,23)
InChIKeyKHFHWDRBNPXEJC-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.86
Rot. Bonds5

About 2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide

2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 138509170) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID138509170
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(N)C(=O)c2cccc(Cl)c2N)cc1
InChIInChI=1S/C17H19ClN4O2/c1-11-5-7-12(8-6-11)9-21-15(23)10-22(20)17(24)13-3-2-4-14(18)16(13)19/h2-8H,9-10,19-20H2,1H3,(H,21,23)
InChIKeyKHFHWDRBNPXEJC-UHFFFAOYSA-N
XLogP1.86
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509218
2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509131
2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509078
2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509079
2-(3-chloro-2-methyl-N-methylsulfanylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 143624755
2-[amino-(2-aminobenzoyl)amino]-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 138509132
2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33164412
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338814
1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 2444446
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 138509170) is 2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(N)C(=O)c2cccc(Cl)c2N)cc1.
What is the InChIKey of 2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KHFHWDRBNPXEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11-5-7-12(8-6-11)9-21-15(23)10-22(20)17(24)13-3-2-4-14(18)16(13)19/h2-8H,9-10,19-20H2,1H3,(H,21,23).
What are the key properties of 2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 346.82 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 138509170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).