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

C16H15Cl2NO — CID 42907495

IUPAC2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1(Cl)Cl)c1cccc2ccccc12
InChIInChI=1S/C16H15Cl2NO/c1-10(19-15(20)14-9-16(14,17)18)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10,14H,9H2,1H3,(H,19,20)
InChIKeyHWBLXBDDIABIPT-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.21
Rot. Bonds3

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

2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 42907495) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID42907495
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1(Cl)Cl)c1cccc2ccccc12
InChIInChI=1S/C16H15Cl2NO/c1-10(19-15(20)14-9-16(14,17)18)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10,14H,9H2,1H3,(H,19,20)
InChIKeyHWBLXBDDIABIPT-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'}

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Related Compounds

(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058748
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 102779169
4-amino-N-(1-naphthalen-1-ylethyl)oxolane-3-carboxamide
CID 66238289
(3S)-1-benzyl-N-(1-naphthalen-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 174554990
(3R)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914192
(3S)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914467
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115453236

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide (CID 42907495) is 2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide is CC(NC(=O)C1CC1(Cl)Cl)c1cccc2ccccc12.
What is the InChIKey of 2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is HWBLXBDDIABIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-10(19-15(20)14-9-16(14,17)18)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10,14H,9H2,1H3,(H,19,20).
What are the key properties of 2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(1-naphthalen-1-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-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 42907495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).