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

C18H21ClN2O3 — CID 109034321

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
SMILESCOc1cc(NC(=O)CCNc2cccc(C)c2)c(OC)cc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-12-5-4-6-13(9-12)20-8-7-18(22)21-15-11-16(23-2)14(19)10-17(15)24-3/h4-6,9-11,20H,7-8H2,1-3H3,(H,21,22)
InChIKeySOHMNFRZJDQJBC-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.11
Rot. Bonds7

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

N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide (PubChem CID 109034321) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
PubChem CID109034321
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
SMILESCOc1cc(NC(=O)CCNc2cccc(C)c2)c(OC)cc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-12-5-4-6-13(9-12)20-8-7-18(22)21-15-11-16(23-2)14(19)10-17(15)24-3/h4-6,9-11,20H,7-8H2,1-3H3,(H,21,22)
InChIKeySOHMNFRZJDQJBC-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-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
CID 109038365
2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 42026315
N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967417
3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 109039398
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042359
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethylanilino)propanamide
CID 109036248
3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 109039271
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956608
3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109038046

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide (CID 109034321) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide is COc1cc(NC(=O)CCNc2cccc(C)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide?
The InChIKey is SOHMNFRZJDQJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12-5-4-6-13(9-12)20-8-7-18(22)21-15-11-16(23-2)14(19)10-17(15)24-3/h4-6,9-11,20H,7-8H2,1-3H3,(H,21,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)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-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide is sourced from PubChem (CID 109034321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).