2-amino-N-(3-chlorophenyl)-4-fluorobenzamide

C13H10ClFN2O — CID 55177097

IUPAC2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H10ClFN2O/c14-8-2-1-3-10(6-8)17-13(18)11-5-4-9(15)7-12(11)16/h1-7H,16H2,(H,17,18)
InChIKeyVUCOTPREPXRZHN-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.31
Rot. Bonds2

About 2-amino-N-(3-chlorophenyl)-4-fluorobenzamide

2-amino-N-(3-chlorophenyl)-4-fluorobenzamide (PubChem CID 55177097) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-amino-N-(3-chlorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
PubChem CID55177097
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H10ClFN2O/c14-8-2-1-3-10(6-8)17-13(18)11-5-4-9(15)7-12(11)16/h1-7H,16H2,(H,17,18)
InChIKeyVUCOTPREPXRZHN-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

2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
CID 62058536
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
2-amino-N-(4-chloro-3-nitrophenyl)-4-fluorobenzamide
CID 63110248
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
2-amino-4-fluoro-N-thiophen-3-ylbenzamide
CID 66354589

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chlorophenyl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(3-chlorophenyl)-4-fluorobenzamide (CID 55177097) is 2-amino-N-(3-chlorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(3-chlorophenyl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(3-chlorophenyl)-4-fluorobenzamide is Nc1cc(F)ccc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-(3-chlorophenyl)-4-fluorobenzamide?
The InChIKey is VUCOTPREPXRZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-8-2-1-3-10(6-8)17-13(18)11-5-4-9(15)7-12(11)16/h1-7H,16H2,(H,17,18).
What are the key properties of 2-amino-N-(3-chlorophenyl)-4-fluorobenzamide?
2-amino-N-(3-chlorophenyl)-4-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 2-amino-N-(3-chlorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 55177097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).