3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide

C18H21ClN2O2 — CID 109038195

IUPAC3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13(2)23-17-6-4-3-5-16(17)21-18(22)11-12-20-15-9-7-14(19)8-10-15/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyRVKPCKNZEYNICD-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.57
Rot. Bonds7

About 3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide

3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 109038195) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID109038195
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13(2)23-17-6-4-3-5-16(17)21-18(22)11-12-20-15-9-7-14(19)8-10-15/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyRVKPCKNZEYNICD-UHFFFAOYSA-N
XLogP4.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109039924
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109040119
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
N-(4-chlorophenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968985
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857
N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109039089
2-[2-(4-chlorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 109002867
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide (CID 109038195) is 3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccccc1NC(=O)CCNc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is RVKPCKNZEYNICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13(2)23-17-6-4-3-5-16(17)21-18(22)11-12-20-15-9-7-14(19)8-10-15/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 332.83 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109038195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).