N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide

C18H20ClNO3 — CID 2922753

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccccc1
InChIInChI=1S/C18H20ClNO3/c1-4-13(12-8-6-5-7-9-12)18(21)20-15-10-14(19)16(22-2)11-17(15)23-3/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyZCFSFLGJXDDBTA-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.49
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide (PubChem CID 2922753) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide
PubChem CID2922753
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccccc1
InChIInChI=1S/C18H20ClNO3/c1-4-13(12-8-6-5-7-9-12)18(21)20-15-10-14(19)16(22-2)11-17(15)23-3/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyZCFSFLGJXDDBTA-UHFFFAOYSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutane-1-carboxamide
CID 72203382
N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 2897418
N-(5-Chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(5-Chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 868614
4-(5-Chloro-2,4-dimethoxyanilino)naphthalene-1,2-dione
CID 671256
N-(5-chloro-2,4-dimethoxyphenyl)-3-fluorobenzamide
CID 835624
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenoxy)acetamide
CID 836312
N-(5-chloro-2-methoxyphenyl)-3-phenylpropanamide
CID 1040166
N-(3-chloro-4-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 2898567
N-(5-chloro-2-methoxyphenyl)-3-phenylbutanamide
CID 2916459
N-(3-chloro-4-methoxyphenyl)-2-phenylbutanamide
CID 2922609
2,2-dichloro-N-(2,4-dimethoxyphenyl)-3-phenylcyclopropanecarboxamide
CID 2928962

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide (CID 2922753) is N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide is CCC(C(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccccc1.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide?
The InChIKey is ZCFSFLGJXDDBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-4-13(12-8-6-5-7-9-12)18(21)20-15-10-14(19)16(22-2)11-17(15)23-3/h5-11,13H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide has a molecular weight of 333.82 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-phenylbutanamide is sourced from PubChem (CID 2922753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).