2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide

C16H15Cl2NO — CID 78776325

IUPAC2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1(Cl)Cl)c1ccc2ccccc2c1
InChIInChI=1S/C16H15Cl2NO/c1-10(19-15(20)14-9-16(14,17)18)12-7-6-11-4-2-3-5-13(11)8-12/h2-8,10,14H,9H2,1H3,(H,19,20)
InChIKeyOMURTSZZDNJGHU-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.21
Rot. Bonds3

About 2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide

2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide (PubChem CID 78776325) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
PubChem CID78776325
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1(Cl)Cl)c1ccc2ccccc2c1
InChIInChI=1S/C16H15Cl2NO/c1-10(19-15(20)14-9-16(14,17)18)12-7-6-11-4-2-3-5-13(11)8-12/h2-8,10,14H,9H2,1H3,(H,19,20)
InChIKeyOMURTSZZDNJGHU-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058748
(4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide
CID 59074949
2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 42907495
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543523
(2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
CID 90114971
2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78864734
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
5-chloro-N-(1-naphthalen-2-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46585233
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
1,2-bis[(1R)-1-naphthalen-2-ylethyl]guanidine
CID 12014152

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide (CID 78776325) is 2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide is CC(NC(=O)C1CC1(Cl)Cl)c1ccc2ccccc2c1.
What is the InChIKey of 2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is OMURTSZZDNJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-10(19-15(20)14-9-16(14,17)18)12-7-6-11-4-2-3-5-13(11)8-12/h2-8,10,14H,9H2,1H3,(H,19,20).
What are the key properties of 2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 308.21 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78776325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).