N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide

C16H20ClNO — CID 102872552

IUPACN-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1)N(CCCl)C1CCC1
InChIInChI=1S/C16H20ClNO/c17-9-10-18(13-7-4-8-13)16(19)15-11-14(15)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2
InChIKeyRRDNKRXBBBZVFW-UHFFFAOYSA-N
MW277.79 g/mol
LogP3.41
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide

N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 102872552) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide
PubChem CID102872552
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1)N(CCCl)C1CCC1
InChIInChI=1S/C16H20ClNO/c17-9-10-18(13-7-4-8-13)16(19)15-11-14(15)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2
InChIKeyRRDNKRXBBBZVFW-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-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

N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide
CID 102684551
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide
CID 102866442
2-phenyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 81494194
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylcyclopropane-1-carboxamide
CID 110675464
N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide
CID 107183874
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
trans-(1S,2S)-N-[(2S)-butan-2-yl]-N-[(2R)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 98329771
cis-(1R,2S)-N,N-bis[(2S)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 40584792
cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 96998764
3-[[2-(3-fluorophenyl)cyclopropanecarbonyl]-(oxan-4-yl)amino]propanoic acid
CID 119212400

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide (CID 102872552) is N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide is O=C(C1CC1c1ccccc1)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is RRDNKRXBBBZVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-9-10-18(13-7-4-8-13)16(19)15-11-14(15)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide?
N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 277.79 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 102872552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).