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

C14H13FN2O — CID 62060652

IUPAC2-amino-4-fluoro-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H13FN2O/c1-9-4-2-3-5-13(9)17-14(18)11-7-6-10(15)8-12(11)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeySIHDGEPCQDUUHT-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.97
Rot. Bonds2

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

2-amino-4-fluoro-N-(2-methylphenyl)benzamide (PubChem CID 62060652) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(2-methylphenyl)benzamide
PubChem CID62060652
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-amino-4-fluoro-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H13FN2O/c1-9-4-2-3-5-13(9)17-14(18)11-7-6-10(15)8-12(11)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeySIHDGEPCQDUUHT-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

methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743
2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725738
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
2-amino-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 63110152
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
N-(2-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745249
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
N-(2-aminophenyl)-4-fluoro-2-hydroxybenzamide
CID 107012970

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(2-methylphenyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(2-methylphenyl)benzamide (CID 62060652) is 2-amino-4-fluoro-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(2-methylphenyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-(2-methylphenyl)benzamide?
The InChIKey is SIHDGEPCQDUUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-4-2-3-5-13(9)17-14(18)11-7-6-10(15)8-12(11)16/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-fluoro-N-(2-methylphenyl)benzamide?
2-amino-4-fluoro-N-(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 2-amino-4-fluoro-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 62060652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).