N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide

C18H21ClN2O2 — CID 54845154

IUPACN-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
SMILESCC(C)Oc1ccc(CNCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13(2)23-15-9-7-14(8-10-15)11-20-12-18(22)21-17-6-4-3-5-16(17)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyPJCJRIDVWRHOOF-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.86
Rot. Bonds7

About N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide

N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide (PubChem CID 54845154) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
PubChem CID54845154
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
SMILESCC(C)Oc1ccc(CNCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13(2)23-15-9-7-14(8-10-15)11-20-12-18(22)21-17-6-4-3-5-16(17)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyPJCJRIDVWRHOOF-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845330
N-(2,5-dimethylphenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845352
N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845447
2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 43754691
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997146
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
2-[(4-methoxyphenyl)methylamino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 54837882
N-(2-chlorophenyl)-2-[(3-fluorophenyl)methylamino]acetamide
CID 28970696
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947071
N-(2-chlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953273
2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54810243

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide (CID 54845154) is N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide is CC(C)Oc1ccc(CNCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
The InChIKey is PJCJRIDVWRHOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13(2)23-15-9-7-14(8-10-15)11-20-12-18(22)21-17-6-4-3-5-16(17)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide has a molecular weight of 332.83 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide is sourced from PubChem (CID 54845154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).