N-(2-chloroethyl)-N-propylcyclohexanecarboxamide

C12H22ClNO — CID 63393390

IUPACN-(2-chloroethyl)-N-propylcyclohexanecarboxamide
SMILESCCCN(CCCl)C(=O)C1CCCCC1
InChIInChI=1S/C12H22ClNO/c1-2-9-14(10-8-13)12(15)11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyVWGUIODNLNVGJP-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.04
Rot. Bonds5

About N-(2-chloroethyl)-N-propylcyclohexanecarboxamide

N-(2-chloroethyl)-N-propylcyclohexanecarboxamide (PubChem CID 63393390) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-propylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-propylcyclohexanecarboxamide
PubChem CID63393390
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(2-chloroethyl)-N-propylcyclohexanecarboxamide
SMILESCCCN(CCCl)C(=O)C1CCCCC1
InChIInChI=1S/C12H22ClNO/c1-2-9-14(10-8-13)12(15)11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyVWGUIODNLNVGJP-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
CID 63391533
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
CID 82324168
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
N-propyl-N-prop-2-ynylcycloheptanecarboxamide
CID 78917353
N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671
N-(cyanomethyl)-N-propylcyclohexanecarboxamide
CID 61226458
N-(cyanomethyl)-N-propylcycloheptanecarboxamide
CID 62586503
N-(cyanomethyl)-N-propylcyclooctanecarboxamide
CID 65018468
N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide
CID 79668335

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-propylcyclohexanecarboxamide?
The IUPAC name of N-(2-chloroethyl)-N-propylcyclohexanecarboxamide (CID 63393390) is N-(2-chloroethyl)-N-propylcyclohexanecarboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-propylcyclohexanecarboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-propylcyclohexanecarboxamide is CCCN(CCCl)C(=O)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-propylcyclohexanecarboxamide?
The InChIKey is VWGUIODNLNVGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-2-9-14(10-8-13)12(15)11-6-4-3-5-7-11/h11H,2-10H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-propylcyclohexanecarboxamide?
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide has a molecular weight of 231.77 g/mol, XLogP of 3.04, 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-propylcyclohexanecarboxamide is sourced from PubChem (CID 63393390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).