3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide

C16H16ClNO3 — CID 39087786

IUPAC3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCOc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-20-13-6-4-5-12(11-13)18-16(19)9-10-21-15-8-3-2-7-14(15)17/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeySCZBJSLJGZLSRM-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.76
Rot. Bonds6

About 3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide

3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide (PubChem CID 39087786) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
PubChem CID39087786
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCOc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-20-13-6-4-5-12(11-13)18-16(19)9-10-21-15-8-3-2-7-14(15)17/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeySCZBJSLJGZLSRM-UHFFFAOYSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
CID 16787023
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
2-(2-chlorophenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169815
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596
N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987443
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
CID 109039529
4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 19201641
N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
CID 39088317

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide (CID 39087786) is 3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCOc2ccccc2Cl)c1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide?
The InChIKey is SCZBJSLJGZLSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-13-6-4-5-12(11-13)18-16(19)9-10-21-15-8-3-2-7-14(15)17/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide?
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide has a molecular weight of 305.76 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 39087786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).