N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide

C18H20ClNO3 — CID 8501521

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(C)c(C)c2)c(OC)cc1Cl
InChIInChI=1S/C18H20ClNO3/c1-11-5-6-13(7-12(11)2)8-18(21)20-15-10-16(22-3)14(19)9-17(15)23-4/h5-7,9-10H,8H2,1-4H3,(H,20,21)
InChIKeyKFQPGBIWESQDNK-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.16
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 8501521) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID8501521
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(C)c(C)c2)c(OC)cc1Cl
InChIInChI=1S/C18H20ClNO3/c1-11-5-6-13(7-12(11)2)8-18(21)20-15-10-16(22-3)14(19)9-17(15)23-4/h5-7,9-10H,8H2,1-4H3,(H,20,21)
InChIKeyKFQPGBIWESQDNK-UHFFFAOYSA-N
XLogP4.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020003
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
CID 55572968
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954485
methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate
CID 2120642
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110651208
2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110771892
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772221
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110427902
N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 24555278

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide (CID 8501521) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide is COc1cc(NC(=O)Cc2ccc(C)c(C)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is KFQPGBIWESQDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-11-5-6-13(7-12(11)2)8-18(21)20-15-10-16(22-3)14(19)9-17(15)23-4/h5-7,9-10H,8H2,1-4H3,(H,20,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 333.82 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 8501521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).