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

C10H12ClNO2 — CID 114305001

IUPACN-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1ccoc1
InChIInChI=1S/C10H12ClNO2/c11-9(7-1-2-7)5-12-10(13)8-3-4-14-6-8/h3-4,6-7,9H,1-2,5H2,(H,12,13)
InChIKeyAJCWGMSZRDSCRL-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.03
Rot. Bonds4

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

N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide (PubChem CID 114305001) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
PubChem CID114305001
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1ccoc1
InChIInChI=1S/C10H12ClNO2/c11-9(7-1-2-7)5-12-10(13)8-3-4-14-6-8/h3-4,6-7,9H,1-2,5H2,(H,12,13)
InChIKeyAJCWGMSZRDSCRL-UHFFFAOYSA-N
XLogP2.03
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.03
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-cyclopropyl-2-hydroxyethyl)furan-3-carboxamide
CID 63294562
N-(2-cyclopentyl-2-hydroxyethyl)furan-3-carboxamide
CID 111426324
N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
CID 114304978
N-(2-chloro-2-cyclopropylethyl)-4-(dimethylamino)benzamide
CID 114305111
2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
CID 106690017
N-[2-(methylamino)propyl]furan-3-carboxamide
CID 103512728
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-3-carboxamide
CID 76952612
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
N-(4-hydroxy-2-methylpentyl)furan-3-carboxamide
CID 111447081
5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide
CID 107966074
2-cyclopropyl-1-(furan-3-yl)propan-1-one
CID 114971750
N-(2-bromo-4-methylpentyl)furan-3-carboxamide
CID 107157639

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide (CID 114305001) is N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide is O=C(NCC(Cl)C1CC1)c1ccoc1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide?
The InChIKey is AJCWGMSZRDSCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-9(7-1-2-7)5-12-10(13)8-3-4-14-6-8/h3-4,6-7,9H,1-2,5H2,(H,12,13).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide?
N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide has a molecular weight of 213.66 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide is sourced from PubChem (CID 114305001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).