N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide

C14H12ClFN2O — CID 82861951

IUPACN-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N)c(Cl)c2)c1F
InChIInChI=1S/C14H12ClFN2O/c1-8-3-2-4-10(13(8)16)14(19)18-9-5-6-12(17)11(15)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyNGUXSPAMBAOYEO-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.62
Rot. Bonds2

About N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide

N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide (PubChem CID 82861951) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
PubChem CID82861951
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N)c(Cl)c2)c1F
InChIInChI=1S/C14H12ClFN2O/c1-8-3-2-4-10(13(8)16)14(19)18-9-5-6-12(17)11(15)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyNGUXSPAMBAOYEO-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-3-chlorophenyl)-2,3-dimethylbenzamide
CID 82861424
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416
N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide
CID 82861957
N-(4-chloro-3-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 107271805
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide
CID 131939887
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide (CID 82861951) is N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(N)c(Cl)c2)c1F.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is NGUXSPAMBAOYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-3-2-4-10(13(8)16)14(19)18-9-5-6-12(17)11(15)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide?
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 278.71 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 82861951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).