3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide

C14H19Cl2NO — CID 63681334

IUPAC3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C14H19Cl2NO/c1-10(11-7-5-6-8-12(11)16)17(4)13(18)14(2,3)9-15/h5-8,10H,9H2,1-4H3
InChIKeyIHGNVLPDNAXAPQ-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.12
Rot. Bonds4

About 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide

3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide (PubChem CID 63681334) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
PubChem CID63681334
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C14H19Cl2NO/c1-10(11-7-5-6-8-12(11)16)17(4)13(18)14(2,3)9-15/h5-8,10H,9H2,1-4H3
InChIKeyIHGNVLPDNAXAPQ-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.12
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

N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62729337
2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79805138
3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
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N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide
CID 63681322
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N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60948899
2-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
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4-[3-[1-(2-chlorophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
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1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
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CID 55097238
(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 104903057

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide (CID 63681334) is 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide is CC(c1ccccc1Cl)N(C)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide?
The InChIKey is IHGNVLPDNAXAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-10(11-7-5-6-8-12(11)16)17(4)13(18)14(2,3)9-15/h5-8,10H,9H2,1-4H3.
What are the key properties of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide?
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide has a molecular weight of 288.22 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 63681334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).