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

C18H18ClNO3 — CID 110410161

IUPAC4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
SMILESCOc1ccccc1CNC(=O)CCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClNO3/c1-23-17-8-3-2-5-14(17)12-20-18(22)10-9-16(21)13-6-4-7-15(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyVKXOQDRPWBUYFS-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.63
Rot. Bonds7

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

4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide (PubChem CID 110410161) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
PubChem CID110410161
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
SMILESCOc1ccccc1CNC(=O)CCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClNO3/c1-23-17-8-3-2-5-14(17)12-20-18(22)10-9-16(21)13-6-4-7-15(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyVKXOQDRPWBUYFS-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110411382
N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 9246368
N-[(2-methoxyphenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344820
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627
2-(3-chlorophenyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 110780207
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982654
N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide
CID 110838952
4-(3-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxobutanamide
CID 110625404

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide (CID 110410161) is 4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide is COc1ccccc1CNC(=O)CCC(=O)c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide?
The InChIKey is VKXOQDRPWBUYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-23-17-8-3-2-5-14(17)12-20-18(22)10-9-16(21)13-6-4-7-15(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,22).
What are the key properties of 4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide?
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide has a molecular weight of 331.80 g/mol, XLogP of 3.63, 7 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-methoxyphenyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 110410161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).