N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide

C11H16ClNO2 — CID 106354882

IUPACN-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1ccco1
InChIInChI=1S/C11H16ClNO2/c1-8(2)9(5-6-12)13-11(14)10-4-3-7-15-10/h3-4,7-9H,5-6H2,1-2H3,(H,13,14)
InChIKeyLIKOHUUMPDOMGD-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.66
Rot. Bonds5

About N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide

N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide (PubChem CID 106354882) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide
PubChem CID106354882
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1ccco1
InChIInChI=1S/C11H16ClNO2/c1-8(2)9(5-6-12)13-11(14)10-4-3-7-15-10/h3-4,7-9H,5-6H2,1-2H3,(H,13,14)
InChIKeyLIKOHUUMPDOMGD-UHFFFAOYSA-N
XLogP2.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.66
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-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355752
N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide
CID 114177682
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-(1-chloro-4-methylpentan-3-yl)isoquinoline-1-carboxamide
CID 106354862
N-[(2R)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]furan-2-carboxamide
CID 95791951
N-[4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide
CID 135316074
N-(3,3-difluorobutan-2-yl)furan-2-carboxamide
CID 126790408
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
N-(1-chloro-4-methylpentan-3-yl)-3,4-dihydroxybenzamide
CID 106354668
N-(1-aminopentan-3-yl)furan-2-carboxamide
CID 62653791
N-(1-chloro-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 114177722

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide (CID 106354882) is N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide is CC(C)C(CCCl)NC(=O)c1ccco1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide?
The InChIKey is LIKOHUUMPDOMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-8(2)9(5-6-12)13-11(14)10-4-3-7-15-10/h3-4,7-9H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide?
N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 106354882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).