2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide

C13H17Cl2NO — CID 39372981

IUPAC2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(Cc1cccc(Cl)c1)C(=O)CCl
InChIInChI=1S/C13H17Cl2NO/c1-10(2)8-16(13(17)7-14)9-11-4-3-5-12(15)6-11/h3-6,10H,7-9H2,1-2H3
InChIKeyGQEZYDRRSGBMON-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.56
Rot. Bonds5

About 2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide

2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide (PubChem CID 39372981) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
PubChem CID39372981
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(Cc1cccc(Cl)c1)C(=O)CCl
InChIInChI=1S/C13H17Cl2NO/c1-10(2)8-16(13(17)7-14)9-11-4-3-5-12(15)6-11/h3-6,10H,7-9H2,1-2H3
InChIKeyGQEZYDRRSGBMON-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
CID 39357180
3-[2-(3-chlorophenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108901489
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-(2-methylpropyl)acetamide
CID 39384116
4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)butanamide
CID 42763794
2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
CID 39443934
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 61163352
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)pentanamide
CID 5095743
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide (CID 39372981) is 2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide is CC(C)CN(Cc1cccc(Cl)c1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide?
The InChIKey is GQEZYDRRSGBMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-10(2)8-16(13(17)7-14)9-11-4-3-5-12(15)6-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide?
2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide has a molecular weight of 274.19 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 39372981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).