4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide

C18H19ClFNO2 — CID 100760961

IUPAC4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H19ClFNO2/c1-4-16(12-5-8-17(23-3)11(2)9-12)21-18(22)14-7-6-13(19)10-15(14)20/h5-10,16H,4H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyQDAZTZNFSOFLDD-INIZCTEOSA-N
MW335.81 g/mol
LogP4.68
Rot. Bonds5

About 4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide

4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide (PubChem CID 100760961) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
PubChem CID100760961
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H19ClFNO2/c1-4-16(12-5-8-17(23-3)11(2)9-12)21-18(22)14-7-6-13(19)10-15(14)20/h5-10,16H,4H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyQDAZTZNFSOFLDD-INIZCTEOSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
CID 100565359
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133164754
2-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133162635
2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
CID 132651752
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 100711328
4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133235547
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiourea
CID 100644151
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100667074

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide (CID 100760961) is 4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide is CC[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The InChIKey is QDAZTZNFSOFLDD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-4-16(12-5-8-17(23-3)11(2)9-12)21-18(22)14-7-6-13(19)10-15(14)20/h5-10,16H,4H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide has a molecular weight of 335.81 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 100760961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).