N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide

C14H20ClNO2 — CID 63391893

IUPACN-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C14H20ClNO2/c1-11-7-10-18-13(11)14(17)16(9-8-15)12-5-3-2-4-6-12/h7,10,12H,2-6,8-9H2,1H3
InChIKeyDXPWZEFUXOBVRA-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.60
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide

N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide (PubChem CID 63391893) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide
PubChem CID63391893
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C14H20ClNO2/c1-11-7-10-18-13(11)14(17)16(9-8-15)12-5-3-2-4-6-12/h7,10,12H,2-6,8-9H2,1H3
InChIKeyDXPWZEFUXOBVRA-UHFFFAOYSA-N
XLogP3.60
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
N-(2-chloroethyl)-N-cyclohexyl-2,4,6-trimethylbenzamide
CID 63391701
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide
CID 114278806
N-(2-chloroethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 63391687
N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide
CID 65238018
N-(2-chloroethyl)-N-cyclohexyl-6-methylpyridine-3-carboxamide
CID 63391189
N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
CID 79084217
2-[(1,1-dioxothiolan-3-yl)-(3-methylfuran-2-carbonyl)amino]acetic acid
CID 60843825
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
CID 102872881
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methylbenzamide
CID 102872550
N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
CID 106689912

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide (CID 63391893) is N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide?
The InChIKey is DXPWZEFUXOBVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11-7-10-18-13(11)14(17)16(9-8-15)12-5-3-2-4-6-12/h7,10,12H,2-6,8-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide?
N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide has a molecular weight of 269.77 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide is sourced from PubChem (CID 63391893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).