2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide

C15H13ClF2N2O — CID 62073815

IUPAC2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1N)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c1-8(9-2-5-12(17)13(18)6-9)20-15(21)11-4-3-10(16)7-14(11)19/h2-8H,19H2,1H3,(H,20,21)
InChIKeyFPMGCIZXZMQNIW-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.69
Rot. Bonds3

About 2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide

2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide (PubChem CID 62073815) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
PubChem CID62073815
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1N)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c1-8(9-2-5-12(17)13(18)6-9)20-15(21)11-4-3-10(16)7-14(11)19/h2-8H,19H2,1H3,(H,20,21)
InChIKeyFPMGCIZXZMQNIW-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.69
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-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355744
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
CID 133262276
3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 103976921
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 146985648
2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 16574257
2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 81355507
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide (CID 62073815) is 2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(Cl)cc1N)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide?
The InChIKey is FPMGCIZXZMQNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-8(9-2-5-12(17)13(18)6-9)20-15(21)11-4-3-10(16)7-14(11)19/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide?
2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide has a molecular weight of 310.73 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide is sourced from PubChem (CID 62073815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).