2-amino-5-fluoro-N-(3-methylphenyl)benzamide

C14H13FN2O — CID 43132634

IUPAC2-amino-5-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(F)ccc2N)c1
InChIInChI=1S/C14H13FN2O/c1-9-3-2-4-11(7-9)17-14(18)12-8-10(15)5-6-13(12)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyAPTCZUNNZLDLDE-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.97
Rot. Bonds2

About 2-amino-5-fluoro-N-(3-methylphenyl)benzamide

2-amino-5-fluoro-N-(3-methylphenyl)benzamide (PubChem CID 43132634) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(3-methylphenyl)benzamide
PubChem CID43132634
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-amino-5-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(F)ccc2N)c1
InChIInChI=1S/C14H13FN2O/c1-9-3-2-4-11(7-9)17-14(18)12-8-10(15)5-6-13(12)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyAPTCZUNNZLDLDE-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

2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
2-amino-N-(3-methoxyphenyl)-5-methylbenzamide
CID 55069541
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 78843203
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(3-methylphenyl)benzamide (CID 43132634) is 2-amino-5-fluoro-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cc(F)ccc2N)c1.
What is the InChIKey of 2-amino-5-fluoro-N-(3-methylphenyl)benzamide?
The InChIKey is APTCZUNNZLDLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-3-2-4-11(7-9)17-14(18)12-8-10(15)5-6-13(12)16/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-5-fluoro-N-(3-methylphenyl)benzamide?
2-amino-5-fluoro-N-(3-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-5-fluoro-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 43132634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).