3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide

C18H20ClNO2 — CID 133187560

IUPAC3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)cc1Cl
InChIInChI=1S/C18H20ClNO2/c1-11-5-6-14(9-12(11)2)13(3)20-18(21)15-7-8-17(22-4)16(19)10-15/h5-10,13H,1-4H3,(H,20,21)
InChIKeyGVLPVTPDSGPCHV-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.46
Rot. Bonds4

About 3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide

3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide (PubChem CID 133187560) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
PubChem CID133187560
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)cc1Cl
InChIInChI=1S/C18H20ClNO2/c1-11-5-6-14(9-12(11)2)13(3)20-18(21)15-7-8-17(22-4)16(19)10-15/h5-10,13H,1-4H3,(H,20,21)
InChIKeyGVLPVTPDSGPCHV-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
CID 133210299
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 30398276
3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30379464
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 93486831
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide (CID 133187560) is 3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is GVLPVTPDSGPCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-11-5-6-14(9-12(11)2)13(3)20-18(21)15-7-8-17(22-4)16(19)10-15/h5-10,13H,1-4H3,(H,20,21).
What are the key properties of 3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide?
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 317.82 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 133187560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).