2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide

C10H11Cl2NO2 — CID 106690017

IUPAC2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1ccoc1Cl
InChIInChI=1S/C10H11Cl2NO2/c11-8(6-1-2-6)5-13-10(14)7-3-4-15-9(7)12/h3-4,6,8H,1-2,5H2,(H,13,14)
InChIKeyRHUSCSXRIFRTQO-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.68
Rot. Bonds4

About 2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide

2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide (PubChem CID 106690017) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
PubChem CID106690017
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1ccoc1Cl
InChIInChI=1S/C10H11Cl2NO2/c11-8(6-1-2-6)5-13-10(14)7-3-4-15-9(7)12/h3-4,6,8H,1-2,5H2,(H,13,14)
InChIKeyRHUSCSXRIFRTQO-UHFFFAOYSA-N
XLogP2.68
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2-chlorofuran-3-carboxamide
CID 106688585
N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
N-(2-bromopropyl)-2-chlorofuran-3-carboxamide
CID 106690037
2-chloro-N-(cyclobutylmethyl)furan-3-carboxamide
CID 106685401
N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
CID 114305001
2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
CID 106687261
5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 106683549
3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid
CID 106683561
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide
CID 106686782
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
CID 114304978
2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
CID 106685015

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide (CID 106690017) is 2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide is O=C(NCC(Cl)C1CC1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide?
The InChIKey is RHUSCSXRIFRTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c11-8(6-1-2-6)5-13-10(14)7-3-4-15-9(7)12/h3-4,6,8H,1-2,5H2,(H,13,14).
What are the key properties of 2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide?
2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide has a molecular weight of 248.11 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide is sourced from PubChem (CID 106690017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).