2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide

C17H18Cl2N4O2 — CID 138509218

IUPAC2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(N)C(=O)c2cc(Cl)cc(Cl)c2N)cc1
InChIInChI=1S/C17H18Cl2N4O2/c1-10-2-4-11(5-3-10)8-22-15(24)9-23(21)17(25)13-6-12(18)7-14(19)16(13)20/h2-7H,8-9,20-21H2,1H3,(H,22,24)
InChIKeyTWVFWAFMOHUBAZ-UHFFFAOYSA-N
MW381.26 g/mol
LogP2.52
Rot. Bonds5

About 2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide

2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 138509218) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID138509218
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(N)C(=O)c2cc(Cl)cc(Cl)c2N)cc1
InChIInChI=1S/C17H18Cl2N4O2/c1-10-2-4-11(5-3-10)8-22-15(24)9-23(21)17(25)13-6-12(18)7-14(19)16(13)20/h2-7H,8-9,20-21H2,1H3,(H,22,24)
InChIKeyTWVFWAFMOHUBAZ-UHFFFAOYSA-N
XLogP2.52
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 52.52
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-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509170
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-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26417831
2-(N-acetyl-3-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113172188
2-[amino-(2-aminobenzoyl)amino]-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 138509132
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 26018842
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 138509218) is 2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(N)C(=O)c2cc(Cl)cc(Cl)c2N)cc1.
What is the InChIKey of 2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is TWVFWAFMOHUBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-10-2-4-11(5-3-10)8-22-15(24)9-23(21)17(25)13-6-12(18)7-14(19)16(13)20/h2-7H,8-9,20-21H2,1H3,(H,22,24).
What are the key properties of 2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 381.26 g/mol, XLogP of 2.52, 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-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 138509218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).