N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide

C18H21ClN2O2 — CID 109035530

IUPACN-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(C)c(C)c2)cc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-12-4-5-14(10-13(12)2)20-9-8-18(22)21-15-6-7-17(23-3)16(19)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyNGAYDZLYCTUSMF-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.41
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide

N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide (PubChem CID 109035530) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
PubChem CID109035530
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(C)c(C)c2)cc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-12-4-5-14(10-13(12)2)20-9-8-18(22)21-15-6-7-17(23-3)16(19)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyNGAYDZLYCTUSMF-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109039005
methyl 4-[3-(3-chloro-4-methoxyanilino)propanoylamino]benzoate
CID 109039039
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037877
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680
3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 109036116

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide (CID 109035530) is N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide is COc1ccc(NC(=O)CCNc2ccc(C)c(C)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide?
The InChIKey is NGAYDZLYCTUSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12-4-5-14(10-13(12)2)20-9-8-18(22)21-15-6-7-17(23-3)16(19)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide has a molecular weight of 332.83 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide is sourced from PubChem (CID 109035530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).