N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide

C12H17ClN2O3 — CID 62639099

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C12H17ClN2O3/c1-7(14-2)12(16)15-9-5-8(13)10(17-3)6-11(9)18-4/h5-7,14H,1-4H3,(H,15,16)
InChIKeySSLDBNNFTDBFPL-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.90
Rot. Bonds5

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide (PubChem CID 62639099) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
PubChem CID62639099
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C12H17ClN2O3/c1-7(14-2)12(16)15-9-5-8(13)10(17-3)6-11(9)18-4/h5-7,14H,1-4H3,(H,15,16)
InChIKeySSLDBNNFTDBFPL-UHFFFAOYSA-N
XLogP1.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide
CID 60638641
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 35960485
N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide
CID 47410572
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
CID 60638823
2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 2953802

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide (CID 62639099) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide?
The InChIKey is SSLDBNNFTDBFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-7(14-2)12(16)15-9-5-8(13)10(17-3)6-11(9)18-4/h5-7,14H,1-4H3,(H,15,16).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide has a molecular weight of 272.73 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 62639099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).