2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide

C15H14ClFN2O — CID 115540519

IUPAC2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1N)c1cccc(F)c1
InChIInChI=1S/C15H14ClFN2O/c1-9(10-4-2-5-11(17)8-10)19-15(20)12-6-3-7-13(16)14(12)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyMFGPMUBHDAUADH-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.55
Rot. Bonds3

About 2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide

2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide (PubChem CID 115540519) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
PubChem CID115540519
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1N)c1cccc(F)c1
InChIInChI=1S/C15H14ClFN2O/c1-9(10-4-2-5-11(17)8-10)19-15(20)12-6-3-7-13(16)14(12)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyMFGPMUBHDAUADH-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.55
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-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800
N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 103601942
2-amino-3-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 115540145
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
N-[1-(3-aminophenyl)ethyl]-2-bromo-5-fluorobenzamide
CID 43297707
5-amino-N-[1-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 81317430
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 115540569
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide (CID 115540519) is 2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide is CC(NC(=O)c1cccc(Cl)c1N)c1cccc(F)c1.
What is the InChIKey of 2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is MFGPMUBHDAUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9(10-4-2-5-11(17)8-10)19-15(20)12-6-3-7-13(16)14(12)18/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide?
2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 292.74 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 115540519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).