2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide

C10H12ClNO3 — CID 106687086

IUPAC2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccoc1Cl
InChIInChI=1S/C10H12ClNO3/c11-8-7(1-4-15-8)9(14)12-5-10(6-13)2-3-10/h1,4,13H,2-3,5-6H2,(H,12,14)
InChIKeyVSCPXMUWADPFDI-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.44
Rot. Bonds4

About 2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide

2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide (PubChem CID 106687086) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
PubChem CID106687086
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccoc1Cl
InChIInChI=1S/C10H12ClNO3/c11-8-7(1-4-15-8)9(14)12-5-10(6-13)2-3-10/h1,4,13H,2-3,5-6H2,(H,12,14)
InChIKeyVSCPXMUWADPFDI-UHFFFAOYSA-N
XLogP1.44
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorofuran-3-carboxamide
CID 106690207
2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide
CID 106690116
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
CID 115362271
2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
CID 106686929
2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 106994170
2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide
CID 106812376
2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103767627
2-chloro-4,5-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717016
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide (CID 106687086) is 2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide is O=C(NCC1(CO)CC1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide?
The InChIKey is VSCPXMUWADPFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c11-8-7(1-4-15-8)9(14)12-5-10(6-13)2-3-10/h1,4,13H,2-3,5-6H2,(H,12,14).
What are the key properties of 2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide?
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide has a molecular weight of 229.66 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 106687086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).