3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide

C18H21ClN2O3 — CID 109038680

IUPAC3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O3/c1-12-4-5-13(10-15(12)19)20-9-8-18(22)21-16-11-14(23-2)6-7-17(16)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyIMEKACMGYUQTFQ-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.11
Rot. Bonds7

About 3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide

3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 109038680) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID109038680
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O3/c1-12-4-5-13(10-15(12)19)20-9-8-18(22)21-16-11-14(23-2)6-7-17(16)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyIMEKACMGYUQTFQ-UHFFFAOYSA-N
XLogP4.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
3-(1,3-benzodioxol-5-ylamino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109040338
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109038272
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 109039271
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 26438641
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide (CID 109038680) is 3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(NC(=O)CCNc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is IMEKACMGYUQTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12-4-5-13(10-15(12)19)20-9-8-18(22)21-16-11-14(23-2)6-7-17(16)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide?
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 348.83 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 109038680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).