N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide

C16H17FN2O — CID 62057344

IUPACN-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
SMILESCCc1ccc(NC(=O)c2cc(F)ccc2C)cc1N
InChIInChI=1S/C16H17FN2O/c1-3-11-5-7-13(9-15(11)18)19-16(20)14-8-12(17)6-4-10(14)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyXJLMMHZXADMXNE-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.53
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide

N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide (PubChem CID 62057344) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
PubChem CID62057344
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
SMILESCCc1ccc(NC(=O)c2cc(F)ccc2C)cc1N
InChIInChI=1S/C16H17FN2O/c1-3-11-5-7-13(9-15(11)18)19-16(20)14-8-12(17)6-4-10(14)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyXJLMMHZXADMXNE-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.53
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

5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63047898
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
CID 106860388
N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
CID 33219668
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057931
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide (CID 62057344) is N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide is CCc1ccc(NC(=O)c2cc(F)ccc2C)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide?
The InChIKey is XJLMMHZXADMXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-3-11-5-7-13(9-15(11)18)19-16(20)14-8-12(17)6-4-10(14)2/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide?
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 62057344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).