2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide

C13H19ClN2O — CID 78787978

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-10(2)15-13(17)9-16(3)8-11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyQTQRJAVYIDWQDV-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.30
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide

2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 78787978) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID78787978
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-10(2)15-13(17)9-16(3)8-11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyQTQRJAVYIDWQDV-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

2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9024530
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113162680
N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8540470
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 62035213
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 8540444
2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8540438
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4694815
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8540898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide (CID 78787978) is 2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is QTQRJAVYIDWQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(2)15-13(17)9-16(3)8-11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide 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 2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 78787978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).