2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide

C13H14Cl2FNO — CID 114758157

IUPAC2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide
SMILESO=C(NCC1(CCCl)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C13H14Cl2FNO/c14-7-6-13(4-5-13)8-17-12(18)11-9(15)2-1-3-10(11)16/h1-3H,4-8H2,(H,17,18)
InChIKeyOMSZGFDMDGRBMB-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.62
Rot. Bonds5

About 2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide

2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide (PubChem CID 114758157) has the molecular formula C13H14Cl2FNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide
PubChem CID114758157
Molecular FormulaC13H14Cl2FNO
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide
SMILESO=C(NCC1(CCCl)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C13H14Cl2FNO/c14-7-6-13(4-5-13)8-17-12(18)11-9(15)2-1-3-10(11)16/h1-3H,4-8H2,(H,17,18)
InChIKeyOMSZGFDMDGRBMB-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide 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-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
CID 115267344
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114758055
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 114758143
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
CID 114758076
2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 110445812
2-chloro-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 115456051
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114757833
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide (CID 114758157) is 2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide is O=C(NCC1(CCCl)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide?
The InChIKey is OMSZGFDMDGRBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FNO/c14-7-6-13(4-5-13)8-17-12(18)11-9(15)2-1-3-10(11)16/h1-3H,4-8H2,(H,17,18).
What are the key properties of 2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide?
2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide has a molecular weight of 290.16 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide is sourced from PubChem (CID 114758157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).