3-amino-N-(4-chloro-2-fluorophenyl)benzamide

C13H10ClFN2O — CID 43708013

IUPAC3-amino-N-(4-chloro-2-fluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C13H10ClFN2O/c14-9-4-5-12(11(15)7-9)17-13(18)8-2-1-3-10(16)6-8/h1-7H,16H2,(H,17,18)
InChIKeyOOOWWHXRUOBAOY-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.31
Rot. Bonds2

About 3-amino-N-(4-chloro-2-fluorophenyl)benzamide

3-amino-N-(4-chloro-2-fluorophenyl)benzamide (PubChem CID 43708013) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-2-fluorophenyl)benzamide
PubChem CID43708013
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name3-amino-N-(4-chloro-2-fluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C13H10ClFN2O/c14-9-4-5-12(11(15)7-9)17-13(18)8-2-1-3-10(16)6-8/h1-7H,16H2,(H,17,18)
InChIKeyOOOWWHXRUOBAOY-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'}

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Related Compounds

3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
CID 61111533
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102852339
2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide
CID 62241320
3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide
CID 172831894
3-amino-N-(2-chloro-3-methylphenyl)benzamide
CID 113266907
N-(4-chloro-2-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762635
N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
CID 81326271
3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide
CID 43438538
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide
CID 36766369

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-2-fluorophenyl)benzamide?
The IUPAC name of 3-amino-N-(4-chloro-2-fluorophenyl)benzamide (CID 43708013) is 3-amino-N-(4-chloro-2-fluorophenyl)benzamide.
What is the SMILES notation for 3-amino-N-(4-chloro-2-fluorophenyl)benzamide?
The canonical SMILES for 3-amino-N-(4-chloro-2-fluorophenyl)benzamide is Nc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1.
What is the InChIKey of 3-amino-N-(4-chloro-2-fluorophenyl)benzamide?
The InChIKey is OOOWWHXRUOBAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-9-4-5-12(11(15)7-9)17-13(18)8-2-1-3-10(16)6-8/h1-7H,16H2,(H,17,18).
What are the key properties of 3-amino-N-(4-chloro-2-fluorophenyl)benzamide?
3-amino-N-(4-chloro-2-fluorophenyl)benzamide 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 3-amino-N-(4-chloro-2-fluorophenyl)benzamide is sourced from PubChem (CID 43708013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).