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

C19H23ClN2O4 — CID 109038481

IUPAC3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNc2cc(Cl)ccc2C)cc(OC)c1OC
InChIInChI=1S/C19H23ClN2O4/c1-12-5-6-13(20)9-15(12)21-8-7-18(23)22-14-10-16(24-2)19(26-4)17(11-14)25-3/h5-6,9-11,21H,7-8H2,1-4H3,(H,22,23)
InChIKeyKKSWFWNPVMCVNA-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.11
Rot. Bonds8

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

3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 109038481) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID109038481
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNc2cc(Cl)ccc2C)cc(OC)c1OC
InChIInChI=1S/C19H23ClN2O4/c1-12-5-6-13(20)9-15(12)21-8-7-18(23)22-14-10-16(24-2)19(26-4)17(11-14)25-3/h5-6,9-11,21H,7-8H2,1-4H3,(H,22,23)
InChIKeyKKSWFWNPVMCVNA-UHFFFAOYSA-N
XLogP4.11
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
N-(2,5-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042529
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109042672
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 109038481) is 3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCNc2cc(Cl)ccc2C)cc(OC)c1OC.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is KKSWFWNPVMCVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-12-5-6-13(20)9-15(12)21-8-7-18(23)22-14-10-16(24-2)19(26-4)17(11-14)25-3/h5-6,9-11,21H,7-8H2,1-4H3,(H,22,23).
What are the key properties of 3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 378.86 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 109038481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).