N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide

C19H20ClNO4 — CID 26620549

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCOc1cc(NC(=O)CCC(=O)c2ccc(C)cc2)c(OC)cc1Cl
InChIInChI=1S/C19H20ClNO4/c1-12-4-6-13(7-5-12)16(22)8-9-19(23)21-15-11-17(24-2)14(20)10-18(15)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)
InChIKeyRHQMNMLHLSDPOS-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.27
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 26620549) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID26620549
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCOc1cc(NC(=O)CCC(=O)c2ccc(C)cc2)c(OC)cc1Cl
InChIInChI=1S/C19H20ClNO4/c1-12-4-6-13(7-5-12)16(22)8-9-19(23)21-15-11-17(24-2)14(20)10-18(15)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)
InChIKeyRHQMNMLHLSDPOS-UHFFFAOYSA-N
XLogP4.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55914142
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723
N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30444435
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113001562
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-(4-methylphenyl)-4-oxobutanoate
CID 55418182
4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide
CID 71863401
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
CID 109034321
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide (CID 26620549) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide is COc1cc(NC(=O)CCC(=O)c2ccc(C)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is RHQMNMLHLSDPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-12-4-6-13(7-5-12)16(22)8-9-19(23)21-15-11-17(24-2)14(20)10-18(15)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 361.83 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 26620549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).