2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide

C11H17Cl2NO — CID 78836724

IUPAC2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C11H17Cl2NO/c1-2-5-14(7-8-3-4-8)10(15)9-6-11(9,12)13/h8-9H,2-7H2,1H3
InChIKeyXSDIGPHWZYYPFW-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.83
Rot. Bonds5

About 2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide

2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide (PubChem CID 78836724) has the molecular formula C11H17Cl2NO and a molecular weight of 250.17 g/mol. Its IUPAC name is 2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide
PubChem CID78836724
Molecular FormulaC11H17Cl2NO
Molecular Weight250.17 g/mol
Exact Mass249.07
IUPAC Name2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C11H17Cl2NO/c1-2-5-14(7-8-3-4-8)10(15)9-6-11(9,12)13/h8-9H,2-7H2,1H3
InChIKeyXSDIGPHWZYYPFW-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.83
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-(cyclopropylmethyl)-N-propylacetamide
CID 59001159
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
methyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 115575376
2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 107180947
N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78868725
(1R)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459977
(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459978
N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 86911274
N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide
CID 64564571
(2S,4S)-N-(cyclopropylmethyl)-2-methyl-N-propylpiperidine-4-carboxamide
CID 120616807
N-(cyclopropylmethyl)-2-ethoxy-N-propylacetamide
CID 60637735
N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-2-carboxamide
CID 107067242

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide (CID 78836724) is 2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide is CCCN(CC1CC1)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide?
The InChIKey is XSDIGPHWZYYPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2NO/c1-2-5-14(7-8-3-4-8)10(15)9-6-11(9,12)13/h8-9H,2-7H2,1H3.
What are the key properties of 2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide?
2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide has a molecular weight of 250.17 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(cyclopropylmethyl)-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 78836724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).