5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide

C12H18ClNO3 — CID 111480015

IUPAC5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C12H18ClNO3/c1-8(15)6-12(2,3)7-14-11(16)9-4-5-10(13)17-9/h4-5,8,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyIVHKUBMMQAZMAE-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.46
Rot. Bonds5

About 5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide

5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide (PubChem CID 111480015) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
PubChem CID111480015
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C12H18ClNO3/c1-8(15)6-12(2,3)7-14-11(16)9-4-5-10(13)17-9/h4-5,8,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyIVHKUBMMQAZMAE-UHFFFAOYSA-N
XLogP2.46
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
CID 111483845
5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide
CID 106253138
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154
3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66165991
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
CID 107260877
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide
CID 106690035

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide (CID 111480015) is 5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide is CC(O)CC(C)(C)CNC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide?
The InChIKey is IVHKUBMMQAZMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-8(15)6-12(2,3)7-14-11(16)9-4-5-10(13)17-9/h4-5,8,15H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide?
5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide has a molecular weight of 259.73 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide is sourced from PubChem (CID 111480015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).