N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide

C14H18ClNO — CID 114757977

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1(CCCl)CC1
InChIInChI=1S/C14H18ClNO/c15-9-8-14(6-7-14)11-16-13(17)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
InChIKeyRGPQGHZKVHBCCQ-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.75
Rot. Bonds6

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

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide (PubChem CID 114757977) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
PubChem CID114757977
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1(CCCl)CC1
InChIInChI=1S/C14H18ClNO/c15-9-8-14(6-7-14)11-16-13(17)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
InChIKeyRGPQGHZKVHBCCQ-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide 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-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114757833
N-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-phenylacetamide
CID 142097923
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 114758143
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114758055
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115455902
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 115455953
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide
CID 18614335
N-[[4-(aminomethyl)-1,1-dioxothian-4-yl]methyl]-2-phenylacetamide
CID 70033577

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide (CID 114757977) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC1(CCCl)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide?
The InChIKey is RGPQGHZKVHBCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-9-8-14(6-7-14)11-16-13(17)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide has a molecular weight of 251.76 g/mol, XLogP of 2.75, 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-phenylacetamide is sourced from PubChem (CID 114757977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).