3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide

C19H22ClNO3 — CID 133184821

IUPAC3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCOc1ccc(C(=O)NC(CC)c2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C19H22ClNO3/c1-4-17(13-6-9-15(23-3)10-7-13)21-19(22)14-8-11-18(24-5-2)16(20)12-14/h6-12,17H,4-5H2,1-3H3,(H,21,22)
InChIKeyJROAAEHBKZMQLW-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.63
Rot. Bonds7

About 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide

3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide (PubChem CID 133184821) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
PubChem CID133184821
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCOc1ccc(C(=O)NC(CC)c2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C19H22ClNO3/c1-4-17(13-6-9-15(23-3)10-7-13)21-19(22)14-8-11-18(24-5-2)16(20)12-14/h6-12,17H,4-5H2,1-3H3,(H,21,22)
InChIKeyJROAAEHBKZMQLW-UHFFFAOYSA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 100648795
3,5-dichloro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547698
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 51258291
3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 24547727
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 28958551
4-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 28574896

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide (CID 133184821) is 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide is CCOc1ccc(C(=O)NC(CC)c2ccc(OC)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is JROAAEHBKZMQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-17(13-6-9-15(23-3)10-7-13)21-19(22)14-8-11-18(24-5-2)16(20)12-14/h6-12,17H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide?
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 347.84 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 133184821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).