N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide

C14H12ClFN2O — CID 110484078

IUPACN-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C14H12ClFN2O/c1-8-10(3-2-4-11(8)15)14(19)18-13-7-9(16)5-6-12(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyNDAKTSDQVUXFMS-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.62
Rot. Bonds2

About N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide

N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide (PubChem CID 110484078) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide
PubChem CID110484078
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C14H12ClFN2O/c1-8-10(3-2-4-11(8)15)14(19)18-13-7-9(16)5-6-12(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyNDAKTSDQVUXFMS-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-(2-amino-5-fluorophenyl)-3-chloro-2-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-(2-amino-5-chlorophenyl)-3-chloro-2-methylbenzamide
CID 107095714
N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
CID 107095769
N-(2-amino-5-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82881025
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
N-(2-amino-5-fluorophenyl)-5-chloro-2-fluorobenzamide
CID 63257209
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid
CID 107095848
2-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 107624293
2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide (CID 110484078) is N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)Nc1cc(F)ccc1N.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide?
The InChIKey is NDAKTSDQVUXFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-10(3-2-4-11(8)15)14(19)18-13-7-9(16)5-6-12(13)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide?
N-(2-amino-5-fluorophenyl)-3-chloro-2-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-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide is sourced from PubChem (CID 110484078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).