N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide

C14H24ClF2NO — CID 106117502

IUPACN-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCCCC(CCCl)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H24ClF2NO/c1-2-3-11(6-9-15)10-18-13(19)12-4-7-14(16,17)8-5-12/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyJDCNNTIFEGOUNX-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.97
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide

N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 106117502) has the molecular formula C14H24ClF2NO and a molecular weight of 295.80 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID106117502
Molecular FormulaC14H24ClF2NO
Molecular Weight295.80 g/mol
Exact Mass295.15
IUPAC NameN-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCCCC(CCCl)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H24ClF2NO/c1-2-3-11(6-9-15)10-18-13(19)12-4-7-14(16,17)8-5-12/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyJDCNNTIFEGOUNX-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-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-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide
CID 114306556
N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 106117575
N-[2-(2-chloroethyl)pentyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106117756
N-(4-chlorobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 83180012
N-[2-(2-aminoethyl)pentyl]cyclopentanecarboxamide
CID 106116208
N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 114177886
2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine
CID 106117073
N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226716
1-(4,4-difluorocyclohexyl)-3-methylhexan-1-one
CID 105091355
N-[2-(2-chloroethyl)pentyl]-2-(2-methoxyethoxy)acetamide
CID 106117629
N-[2-(2-chloroethyl)pentyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 106117492
N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide
CID 106118030

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide (CID 106117502) is N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide is CCCC(CCCl)CNC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is JDCNNTIFEGOUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClF2NO/c1-2-3-11(6-9-15)10-18-13(19)12-4-7-14(16,17)8-5-12/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide?
N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 106117502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).