N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide

C16H20ClNO — CID 114758096

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1(CCCl)CC1)C1CC1c1ccccc1
InChIInChI=1S/C16H20ClNO/c17-9-8-16(6-7-16)11-18-15(19)14-10-13(14)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,19)
InChIKeyXFBXXEUYLHWKNB-UHFFFAOYSA-N
MW277.79 g/mol
LogP3.32
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 114758096) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID114758096
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1(CCCl)CC1)C1CC1c1ccccc1
InChIInChI=1S/C16H20ClNO/c17-9-8-16(6-7-16)11-18-15(19)14-10-13(14)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,19)
InChIKeyXFBXXEUYLHWKNB-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.32
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

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 80710988
trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 99776033
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 75537852
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
N-[[1-(2-chloroethyl)cyclopropyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 114757939
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336
1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 78971312

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide (CID 114758096) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide is O=C(NCC1(CCCl)CC1)C1CC1c1ccccc1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is XFBXXEUYLHWKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-9-8-16(6-7-16)11-18-15(19)14-10-13(14)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,19).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 277.79 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 114758096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).