4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide

C19H20ClNO3 — CID 110411382

IUPAC4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
SMILESCOc1ccccc1CCNC(=O)CCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO3/c1-24-18-8-3-2-5-14(18)11-12-21-19(23)10-9-17(22)15-6-4-7-16(20)13-15/h2-8,13H,9-12H2,1H3,(H,21,23)
InChIKeyGHHOBNRFEJWYAU-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.67
Rot. Bonds8

About 4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide

4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide (PubChem CID 110411382) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
PubChem CID110411382
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
SMILESCOc1ccccc1CCNC(=O)CCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO3/c1-24-18-8-3-2-5-14(18)11-12-21-19(23)10-9-17(22)15-6-4-7-16(20)13-15/h2-8,13H,9-12H2,1H3,(H,21,23)
InChIKeyGHHOBNRFEJWYAU-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 110410161
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110411335
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 31115610
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 9246368
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
CID 8599438
4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 110676338
3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
3-(5-chlorothiophen-2-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 87000667

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide (CID 110411382) is 4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide is COc1ccccc1CCNC(=O)CCC(=O)c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide?
The InChIKey is GHHOBNRFEJWYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-24-18-8-3-2-5-14(18)11-12-21-19(23)10-9-17(22)15-6-4-7-16(20)13-15/h2-8,13H,9-12H2,1H3,(H,21,23).
What are the key properties of 4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide?
4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide has a molecular weight of 345.83 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide is sourced from PubChem (CID 110411382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).