3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide

C22H22ClNO3 — CID 55566725

IUPAC3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2c(OC)ccc3ccccc23)cc1Cl
InChIInChI=1S/C22H22ClNO3/c1-26-20-11-9-16-5-3-4-6-17(16)18(20)14-24-22(25)12-8-15-7-10-21(27-2)19(23)13-15/h3-7,9-11,13H,8,12,14H2,1-2H3,(H,24,25)
InChIKeyFRRSADFHIJOPIL-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.76
Rot. Bonds7

About 3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide

3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide (PubChem CID 55566725) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
PubChem CID55566725
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2c(OC)ccc3ccccc23)cc1Cl
InChIInChI=1S/C22H22ClNO3/c1-26-20-11-9-16-5-3-4-6-17(16)18(20)14-24-22(25)12-8-15-7-10-21(27-2)19(23)13-15/h3-7,9-11,13H,8,12,14H2,1-2H3,(H,24,25)
InChIKeyFRRSADFHIJOPIL-UHFFFAOYSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide
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N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide
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4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
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N-[(3-chloro-4-methoxyphenyl)methyl]-3-cyanopropanamide
CID 94690844
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
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3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide (CID 55566725) is 3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide is COc1ccc(CCC(=O)NCc2c(OC)ccc3ccccc23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide?
The InChIKey is FRRSADFHIJOPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c1-26-20-11-9-16-5-3-4-6-17(16)18(20)14-24-22(25)12-8-15-7-10-21(27-2)19(23)13-15/h3-7,9-11,13H,8,12,14H2,1-2H3,(H,24,25).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide?
3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide has a molecular weight of 383.88 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide is sourced from PubChem (CID 55566725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).