N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide

C15H13ClFNO — CID 7944591

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
SMILESC[C@H](NC(=O)c1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-10(12-3-2-4-13(16)9-12)18-15(19)11-5-7-14(17)8-6-11/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyHZXWBCBIVQVDMT-JTQLQIEISA-N
MW277.73 g/mol
LogP3.97
Rot. Bonds3

About N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide (PubChem CID 7944591) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
PubChem CID7944591
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
SMILESC[C@H](NC(=O)c1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-10(12-3-2-4-13(16)9-12)18-15(19)11-5-7-14(17)8-6-11/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyHZXWBCBIVQVDMT-JTQLQIEISA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
CID 107025485
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51881405
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 9164695
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide (CID 7944591) is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide is C[C@H](NC(=O)c1ccc(F)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide?
The InChIKey is HZXWBCBIVQVDMT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10(12-3-2-4-13(16)9-12)18-15(19)11-5-7-14(17)8-6-11/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide has a molecular weight of 277.73 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 7944591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).