2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide

C15H16Cl3NO — CID 78852811

IUPAC2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)C1CC1(Cl)Cl)C1CC1
InChIInChI=1S/C15H16Cl3NO/c1-9(10-2-4-11(16)5-3-10)19(12-6-7-12)14(20)13-8-15(13,17)18/h2-5,9,12-13H,6-8H2,1H3
InChIKeyNHDDOZNXVYBMQD-UHFFFAOYSA-N
MW332.66 g/mol
LogP4.59
Rot. Bonds4

About 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide

2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide (PubChem CID 78852811) has the molecular formula C15H16Cl3NO and a molecular weight of 332.66 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide
PubChem CID78852811
Molecular FormulaC15H16Cl3NO
Molecular Weight332.66 g/mol
Exact Mass331.03
IUPAC Name2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)C1CC1(Cl)Cl)C1CC1
InChIInChI=1S/C15H16Cl3NO/c1-9(10-2-4-11(16)5-3-10)19(12-6-7-12)14(20)13-8-15(13,17)18/h2-5,9,12-13H,6-8H2,1H3
InChIKeyNHDDOZNXVYBMQD-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.66
LogP ≤ 54.59
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-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide
CID 119297631
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 75872095
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide
CID 71684755
2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 78846846
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide
CID 55594655
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide
CID 55967091
N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
CID 55594102
1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]-cyclopropylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 125120937
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 51956049
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55595247
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55594889

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide (CID 78852811) is 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide is CC(c1ccc(Cl)cc1)N(C(=O)C1CC1(Cl)Cl)C1CC1.
What is the InChIKey of 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide?
The InChIKey is NHDDOZNXVYBMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3NO/c1-9(10-2-4-11(16)5-3-10)19(12-6-7-12)14(20)13-8-15(13,17)18/h2-5,9,12-13H,6-8H2,1H3.
What are the key properties of 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide?
2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide has a molecular weight of 332.66 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide is sourced from PubChem (CID 78852811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).