N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide

C15H14ClFN2O — CID 82874897

IUPACN-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1N
InChIInChI=1S/C15H14ClFN2O/c1-2-9-3-5-11(8-14(9)18)19-15(20)10-4-6-13(17)12(16)7-10/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyJNCVVODAOFMRHL-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.88
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide

N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide (PubChem CID 82874897) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
PubChem CID82874897
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1N
InChIInChI=1S/C15H14ClFN2O/c1-2-9-3-5-11(8-14(9)18)19-15(20)10-4-6-13(17)12(16)7-10/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyJNCVVODAOFMRHL-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.88
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-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
CID 103218699
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
N-(3-amino-4-ethylphenyl)-4-iodobenzamide
CID 43550217
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide (CID 82874897) is N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide is CCc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide?
The InChIKey is JNCVVODAOFMRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-2-9-3-5-11(8-14(9)18)19-15(20)10-4-6-13(17)12(16)7-10/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide?
N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide has a molecular weight of 292.74 g/mol, XLogP of 3.88, 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)-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 82874897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).