2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide

C15H14ClFN2O — CID 81354408

IUPAC2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
SMILESC[C@H](NC(=O)c1cc(F)ccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN2O/c1-9(10-2-4-11(16)5-3-10)19-15(20)13-8-12(17)6-7-14(13)18/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyKRZYOIMJJIGTHN-VIFPVBQESA-N
MW292.74 g/mol
LogP3.55
Rot. Bonds3

About 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide

2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide (PubChem CID 81354408) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
PubChem CID81354408
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
SMILESC[C@H](NC(=O)c1cc(F)ccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN2O/c1-9(10-2-4-11(16)5-3-10)19-15(20)13-8-12(17)6-7-14(13)18/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyKRZYOIMJJIGTHN-VIFPVBQESA-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

5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide
CID 55122299
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 81355507
2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 62073815
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
2-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355744
2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471804
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
CID 61118117

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide?
The IUPAC name of 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide (CID 81354408) is 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide is C[C@H](NC(=O)c1cc(F)ccc1N)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide?
The InChIKey is KRZYOIMJJIGTHN-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9(10-2-4-11(16)5-3-10)19-15(20)13-8-12(17)6-7-14(13)18/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide?
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide 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-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide is sourced from PubChem (CID 81354408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).