2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide

C14H12F2N2O — CID 43245678

IUPAC2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2N)cc1F
InChIInChI=1S/C14H12F2N2O/c1-8-2-4-10(7-12(8)16)18-14(19)11-6-9(15)3-5-13(11)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyPNUOIENWHPYSDE-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.11
Rot. Bonds2

About 2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide

2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide (PubChem CID 43245678) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
PubChem CID43245678
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2N)cc1F
InChIInChI=1S/C14H12F2N2O/c1-8-2-4-10(7-12(8)16)18-14(19)11-6-9(15)3-5-13(11)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyPNUOIENWHPYSDE-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.11
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-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 61090590
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
2-amino-N-(4-fluoro-3-methylphenyl)-5-hydroxybenzamide
CID 107075174
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide
CID 107121059
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide (CID 43245678) is 2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(F)ccc2N)cc1F.
What is the InChIKey of 2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide?
The InChIKey is PNUOIENWHPYSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8-2-4-10(7-12(8)16)18-14(19)11-6-9(15)3-5-13(11)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide?
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide has a molecular weight of 262.26 g/mol, XLogP of 3.11, 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-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 43245678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).