N-(2-amino-4-chlorophenyl)-2-fluorobenzamide

C13H10ClFN2O — CID 16773651

IUPACN-(2-amino-4-chlorophenyl)-2-fluorobenzamide
SMILESNc1cc(Cl)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C13H10ClFN2O/c14-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)15/h1-7H,16H2,(H,17,18)
InChIKeyIYYNUZGEJYDZQI-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.31
Rot. Bonds2

About N-(2-amino-4-chlorophenyl)-2-fluorobenzamide

N-(2-amino-4-chlorophenyl)-2-fluorobenzamide (PubChem CID 16773651) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-fluorobenzamide
PubChem CID16773651
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC NameN-(2-amino-4-chlorophenyl)-2-fluorobenzamide
SMILESNc1cc(Cl)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C13H10ClFN2O/c14-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)15/h1-7H,16H2,(H,17,18)
InChIKeyIYYNUZGEJYDZQI-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-chlorophenyl)-2-fluorobenzamide 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

2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
CID 61074997
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
2-amino-N-(2-bromo-4-chlorophenyl)-3-fluorobenzamide
CID 81275442
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
N-(2,6-dichloro-3-pyridinyl)-2-fluorobenzamide
CID 15121533
5-amino-N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 61112671
N-(2-amino-5-fluorophenyl)-5-chloro-2-fluorobenzamide
CID 63257209
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-fluorobenzamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-fluorobenzamide (CID 16773651) is N-(2-amino-4-chlorophenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-fluorobenzamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-fluorobenzamide is Nc1cc(Cl)ccc1NC(=O)c1ccccc1F.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-fluorobenzamide?
The InChIKey is IYYNUZGEJYDZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)15/h1-7H,16H2,(H,17,18).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-fluorobenzamide?
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide has a molecular weight of 264.69 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 16773651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).