2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide

C20H22ClNO3 — CID 46449829

IUPAC2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(C(NC(=O)C(C)Oc2cccc(Cl)c2)C2CC2)cc1
InChIInChI=1S/C20H22ClNO3/c1-13(25-18-5-3-4-16(21)12-18)20(23)22-19(14-6-7-14)15-8-10-17(24-2)11-9-15/h3-5,8-14,19H,6-7H2,1-2H3,(H,22,23)
InChIKeyDSRSGRBUIDDEAS-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.38
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide

2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide (PubChem CID 46449829) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
PubChem CID46449829
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(C(NC(=O)C(C)Oc2cccc(Cl)c2)C2CC2)cc1
InChIInChI=1S/C20H22ClNO3/c1-13(25-18-5-3-4-16(21)12-18)20(23)22-19(14-6-7-14)15-8-10-17(24-2)11-9-15/h3-5,8-14,19H,6-7H2,1-2H3,(H,22,23)
InChIKeyDSRSGRBUIDDEAS-UHFFFAOYSA-N
XLogP4.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 46509264
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93486457
N-(1-cyclopropylethyl)-2-(4-methoxyphenoxy)propanamide
CID 47140492
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
CID 5105223
4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide
CID 55686041
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 65229390
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(ethylamino)-2-methylpropanamide
CID 62837500

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide (CID 46449829) is 2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide is COc1ccc(C(NC(=O)C(C)Oc2cccc(Cl)c2)C2CC2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide?
The InChIKey is DSRSGRBUIDDEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-13(25-18-5-3-4-16(21)12-18)20(23)22-19(14-6-7-14)15-8-10-17(24-2)11-9-15/h3-5,8-14,19H,6-7H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide?
2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide has a molecular weight of 359.85 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 46449829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).