2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene

C18H21Cl2NO — CID 175422167

IUPAC2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene
SMILESCC(C)N(C(=O)CCl)c1ccc(Cl)cc1.Cc1ccccc1
InChIInChI=1S/C11H13Cl2NO.C7H8/c1-8(2)14(11(15)7-12)10-5-3-9(13)4-6-10;1-7-5-3-2-4-6-7/h3-6,8H,7H2,1-2H3;2-6H,1H3
InChIKeyUEEGOZUVKVPDNF-UHFFFAOYSA-N
MW338.28 g/mol
LogP5.32
Rot. Bonds3

About 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene

2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene (PubChem CID 175422167) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene
PubChem CID175422167
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC Name2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene
SMILESCC(C)N(C(=O)CCl)c1ccc(Cl)cc1.Cc1ccccc1
InChIInChI=1S/C11H13Cl2NO.C7H8/c1-8(2)14(11(15)7-12)10-5-3-9(13)4-6-10;1-7-5-3-2-4-6-7/h3-6,8H,7H2,1-2H3;2-6H,1H3
InChIKeyUEEGOZUVKVPDNF-UHFFFAOYSA-N
XLogP5.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 55.32
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-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide
CID 15045876
2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 2874909
bis(2-chloro-N-phenyl-N-propan-2-ylacetamide);bis(N-(3,4-dichlorophenyl)propanamide)
CID 173369864
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
2-chloro-N-(4-chlorophenyl)-N-methylacetamide
CID 12603569
2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 2408074
4-(chloromethyl)-N-(4-chlorophenyl)-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide
CID 139606740
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827325
(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide
CID 174298754
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 112815555
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene (CID 175422167) is 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene is CC(C)N(C(=O)CCl)c1ccc(Cl)cc1.Cc1ccccc1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene?
The InChIKey is UEEGOZUVKVPDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO.C7H8/c1-8(2)14(11(15)7-12)10-5-3-9(13)4-6-10;1-7-5-3-2-4-6-7/h3-6,8H,7H2,1-2H3;2-6H,1H3.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene?
2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene has a molecular weight of 338.28 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene is sourced from PubChem (CID 175422167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).