2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide

C14H12ClFN2O — CID 16792678

IUPAC2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
SMILESNc1ccc(Cl)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H12ClFN2O/c15-10-3-6-13(17)12(7-10)14(19)18-8-9-1-4-11(16)5-2-9/h1-7H,8,17H2,(H,18,19)
InChIKeyMTBCYOCTVYVQJX-UHFFFAOYSA-N
MW278.71 g/mol
LogP2.99
Rot. Bonds3

About 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide

2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 16792678) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID16792678
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
SMILESNc1ccc(Cl)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H12ClFN2O/c15-10-3-6-13(17)12(7-10)14(19)18-8-9-1-4-11(16)5-2-9/h1-7H,8,17H2,(H,18,19)
InChIKeyMTBCYOCTVYVQJX-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 52.99
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-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107210212
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide
CID 22133034
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide
CID 171538005

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide (CID 16792678) is 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide is Nc1ccc(Cl)cc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is MTBCYOCTVYVQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-10-3-6-13(17)12(7-10)14(19)18-8-9-1-4-11(16)5-2-9/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide?
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 278.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 16792678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).