N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide

C13H19ClN2O — CID 60683172

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-10(2)15-8-13(17)16(3)9-11-6-4-5-7-12(11)14/h4-7,10,15H,8-9H2,1-3H3
InChIKeyYRPRWDYLKCALJX-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.30
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide

N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide (PubChem CID 60683172) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
PubChem CID60683172
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-10(2)15-8-13(17)16(3)9-11-6-4-5-7-12(11)14/h4-7,10,15H,8-9H2,1-3H3
InChIKeyYRPRWDYLKCALJX-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78915074
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide
CID 119066296
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
CID 115578615
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide (CID 60683172) is N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The InChIKey is YRPRWDYLKCALJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(2)15-8-13(17)16(3)9-11-6-4-5-7-12(11)14/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60683172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).