N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide

C18H21ClN2O3 — CID 109038272

IUPACN-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
SMILESCOc1ccc(OC)c(NCCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C18H21ClN2O3/c1-12-14(19)5-4-6-15(12)21-18(22)9-10-20-16-11-13(23-2)7-8-17(16)24-3/h4-8,11,20H,9-10H2,1-3H3,(H,21,22)
InChIKeyMQRFSZYDVOLZTN-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.11
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide

N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide (PubChem CID 109038272) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
PubChem CID109038272
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
SMILESCOc1ccc(OC)c(NCCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C18H21ClN2O3/c1-12-14(19)5-4-6-15(12)21-18(22)9-10-20-16-11-13(23-2)7-8-17(16)24-3/h4-8,11,20H,9-10H2,1-3H3,(H,21,22)
InChIKeyMQRFSZYDVOLZTN-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-2-methylphenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807475
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
CID 109038365
3-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 111092447
N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037265
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680
N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037085
N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955088
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide (CID 109038272) is N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide is COc1ccc(OC)c(NCCC(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
The InChIKey is MQRFSZYDVOLZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12-14(19)5-4-6-15(12)21-18(22)9-10-20-16-11-13(23-2)7-8-17(16)24-3/h4-8,11,20H,9-10H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide?
N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)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 N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide is sourced from PubChem (CID 109038272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).