4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

C16H15ClFNO2 — CID 9051353

IUPAC4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H15ClFNO2/c1-10(12-5-8-15(21-2)14(18)9-12)19-16(20)11-3-6-13(17)7-4-11/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyPITDXTOXJLUXCF-JTQLQIEISA-N
MW307.75 g/mol
LogP3.98
Rot. Bonds4

About 4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (PubChem CID 9051353) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
PubChem CID9051353
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H15ClFNO2/c1-10(12-5-8-15(21-2)14(18)9-12)19-16(20)11-3-6-13(17)7-4-11/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyPITDXTOXJLUXCF-JTQLQIEISA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 16574257
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
2,4-dichloro-5-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 18275060
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 51214323
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
4-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 46828541
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
4-chloro-N-[1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55595814

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (CID 9051353) is 4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The InChIKey is PITDXTOXJLUXCF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10(12-5-8-15(21-2)14(18)9-12)19-16(20)11-3-6-13(17)7-4-11/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide has a molecular weight of 307.75 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 9051353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).