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

C18H20ClNO2 — CID 100766332

IUPAC2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1Cl)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-4-16(13-9-10-17(22-3)12(2)11-13)20-18(21)14-7-5-6-8-15(14)19/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyGBVVWBAXEGOXAQ-INIZCTEOSA-N
MW317.82 g/mol
LogP4.54
Rot. Bonds5

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

2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide (PubChem CID 100766332) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
PubChem CID100766332
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1Cl)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-4-16(13-9-10-17(22-3)12(2)11-13)20-18(21)14-7-5-6-8-15(14)19/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyGBVVWBAXEGOXAQ-INIZCTEOSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133164754
4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100760961
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100604900
2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
CID 171987202
2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
CID 38839315
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 100711328
2-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133162635
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202334
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide
CID 100620479
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
2-chloro-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 100638516

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide (CID 100766332) is 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide is CC[C@H](NC(=O)c1ccccc1Cl)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The InChIKey is GBVVWBAXEGOXAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-16(13-9-10-17(22-3)12(2)11-13)20-18(21)14-7-5-6-8-15(14)19/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide has a molecular weight of 317.82 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 100766332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).