2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide

C17H19FN4O2 — CID 138509079

IUPAC2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(N)C(=O)c2c(N)cccc2F)cc1
InChIInChI=1S/C17H19FN4O2/c1-11-5-7-12(8-6-11)9-21-15(23)10-22(20)17(24)16-13(18)3-2-4-14(16)19/h2-8H,9-10,19-20H2,1H3,(H,21,23)
InChIKeyKQTLKYHJMIMGFX-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.35
Rot. Bonds5

About 2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide

2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 138509079) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID138509079
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(N)C(=O)c2c(N)cccc2F)cc1
InChIInChI=1S/C17H19FN4O2/c1-11-5-7-12(8-6-11)9-21-15(23)10-22(20)17(24)16-13(18)3-2-4-14(16)19/h2-8H,9-10,19-20H2,1H3,(H,21,23)
InChIKeyKQTLKYHJMIMGFX-UHFFFAOYSA-N
XLogP1.35
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.35
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-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509078
2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509170
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254
2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509131
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509218
2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 108997244
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51342973
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
2-[amino-(2-aminobenzoyl)amino]-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 138509132
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 138509079) is 2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(N)C(=O)c2c(N)cccc2F)cc1.
What is the InChIKey of 2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KQTLKYHJMIMGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-5-7-12(8-6-11)9-21-15(23)10-22(20)17(24)16-13(18)3-2-4-14(16)19/h2-8H,9-10,19-20H2,1H3,(H,21,23).
What are the key properties of 2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 330.36 g/mol, XLogP of 1.35, 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-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 138509079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).