3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide

C19H23ClN2O2 — CID 109038449

IUPAC3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCc1ccc(Cl)cc1NCCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)24-17-8-6-16(7-9-17)22-19(23)10-11-21-18-12-15(20)5-4-14(18)3/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyFCGIDSOQIMLLSW-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.88
Rot. Bonds7

About 3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide

3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 109038449) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID109038449
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCc1ccc(Cl)cc1NCCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)24-17-8-6-16(7-9-17)22-19(23)10-11-21-18-12-15(20)5-4-14(18)3/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyFCGIDSOQIMLLSW-UHFFFAOYSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52782436
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109039089
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109038875
3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036983
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide (CID 109038449) is 3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide is Cc1ccc(Cl)cc1NCCC(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is FCGIDSOQIMLLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(2)24-17-8-6-16(7-9-17)22-19(23)10-11-21-18-12-15(20)5-4-14(18)3/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23).
What are the key properties of 3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 346.86 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109038449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).