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

C9H12ClNO3 — CID 106688367

IUPAC2-chloro-N-(2-methylpropoxy)furan-3-carboxamide
SMILESCC(C)CONC(=O)c1ccoc1Cl
InChIInChI=1S/C9H12ClNO3/c1-6(2)5-14-11-9(12)7-3-4-13-8(7)10/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeyRBSPDLPHYVEYEK-UHFFFAOYSA-N
MW217.65 g/mol
LogP2.25
Rot. Bonds4

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

2-chloro-N-(2-methylpropoxy)furan-3-carboxamide (PubChem CID 106688367) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpropoxy)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpropoxy)furan-3-carboxamide
PubChem CID106688367
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name2-chloro-N-(2-methylpropoxy)furan-3-carboxamide
SMILESCC(C)CONC(=O)c1ccoc1Cl
InChIInChI=1S/C9H12ClNO3/c1-6(2)5-14-11-9(12)7-3-4-13-8(7)10/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeyRBSPDLPHYVEYEK-UHFFFAOYSA-N
XLogP2.25
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methylpropoxy)furan-3-carboxamide
CID 115409998
2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325
N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106688386
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate
CID 106686124
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
CID 106685015
N-(2-bromopropyl)-2-chlorofuran-3-carboxamide
CID 106690037
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
CID 106688596
2,3-dihydroxy-N-(2-methylpropoxy)benzamide
CID 114344886
6-chloro-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 115410299
(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoic acid
CID 106683406

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpropoxy)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methylpropoxy)furan-3-carboxamide (CID 106688367) is 2-chloro-N-(2-methylpropoxy)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methylpropoxy)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methylpropoxy)furan-3-carboxamide is CC(C)CONC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylpropoxy)furan-3-carboxamide?
The InChIKey is RBSPDLPHYVEYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3/c1-6(2)5-14-11-9(12)7-3-4-13-8(7)10/h3-4,6H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-chloro-N-(2-methylpropoxy)furan-3-carboxamide?
2-chloro-N-(2-methylpropoxy)furan-3-carboxamide has a molecular weight of 217.65 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpropoxy)furan-3-carboxamide is sourced from PubChem (CID 106688367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).