4-amino-N-(4-fluoro-2-methylphenyl)benzamide

C14H13FN2O — CID 16781461

IUPAC4-amino-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H13FN2O/c1-9-8-11(15)4-7-13(9)17-14(18)10-2-5-12(16)6-3-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeySEAALMBLUOOZHX-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.97
Rot. Bonds2

About 4-amino-N-(4-fluoro-2-methylphenyl)benzamide

4-amino-N-(4-fluoro-2-methylphenyl)benzamide (PubChem CID 16781461) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-amino-N-(4-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(4-fluoro-2-methylphenyl)benzamide
PubChem CID16781461
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name4-amino-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H13FN2O/c1-9-8-11(15)4-7-13(9)17-14(18)10-2-5-12(16)6-3-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeySEAALMBLUOOZHX-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
CID 102850738
2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide
CID 80549657
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
CID 104782299
4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
CID 43700590
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
methyl 2-[(4-aminobenzoyl)amino]-4-fluorobenzoate
CID 43713810
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8840517
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 4-amino-N-(4-fluoro-2-methylphenyl)benzamide (CID 16781461) is 4-amino-N-(4-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(4-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 4-amino-N-(4-fluoro-2-methylphenyl)benzamide is Cc1cc(F)ccc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(4-fluoro-2-methylphenyl)benzamide?
The InChIKey is SEAALMBLUOOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-8-11(15)4-7-13(9)17-14(18)10-2-5-12(16)6-3-10/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(4-fluoro-2-methylphenyl)benzamide?
4-amino-N-(4-fluoro-2-methylphenyl)benzamide has a molecular weight of 244.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 16781461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).