3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide

C19H22ClNO4 — CID 100648795

IUPAC3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
SMILESCC[C@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22ClNO4/c1-5-15(12-6-9-17(24-3)18(11-12)25-4)21-19(22)13-7-8-16(23-2)14(20)10-13/h6-11,15H,5H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyVLQHNRLKKFSJEH-HNNXBMFYSA-N
MW363.84 g/mol
LogP4.25
Rot. Bonds7

About 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide

3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide (PubChem CID 100648795) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
PubChem CID100648795
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
SMILESCC[C@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22ClNO4/c1-5-15(12-6-9-17(24-3)18(11-12)25-4)21-19(22)13-7-8-16(23-2)14(20)10-13/h6-11,15H,5H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyVLQHNRLKKFSJEH-HNNXBMFYSA-N
XLogP4.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
(3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 1267320
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
(3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 7300191
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 133184821
N-[1-(3,4-dimethoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133231412
3-[(4-chloro-3-methylbenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 120684289
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylpyridine-4-carboxamide
CID 99933793
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 100711328
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 132653990
3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
CID 133210299

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide (CID 100648795) is 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide is CC[C@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide?
The InChIKey is VLQHNRLKKFSJEH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-5-15(12-6-9-17(24-3)18(11-12)25-4)21-19(22)13-7-8-16(23-2)14(20)10-13/h6-11,15H,5H2,1-4H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide?
3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide has a molecular weight of 363.84 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide is sourced from PubChem (CID 100648795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).