N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide

C16H18ClNO3 — CID 28666016

IUPACN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl
InChIInChI=1S/C16H18ClNO3/c1-10(2)7-16(20)18-14-8-11(3-5-13(14)17)15-6-4-12(9-19)21-15/h3-6,8,10,19H,7,9H2,1-2H3,(H,18,20)
InChIKeyHMSTWRUQNLEMBF-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.08
Rot. Bonds5

About N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide (PubChem CID 28666016) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
PubChem CID28666016
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl
InChIInChI=1S/C16H18ClNO3/c1-10(2)7-16(20)18-14-8-11(3-5-13(14)17)15-6-4-12(9-19)21-15/h3-6,8,10,19H,7,9H2,1-2H3,(H,18,20)
InChIKeyHMSTWRUQNLEMBF-UHFFFAOYSA-N
XLogP4.08
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide
CID 28665680
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 28666384
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
CID 28666023
N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 28686820
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28676428
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide
CID 28668422
2,4-dichloro-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28668130
N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 28687406
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide
CID 28667544
3,4-dichloro-N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide
CID 28687341
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-propoxybenzamide
CID 28672597

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide (CID 28666016) is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide?
The InChIKey is HMSTWRUQNLEMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10(2)7-16(20)18-14-8-11(3-5-13(14)17)15-6-4-12(9-19)21-15/h3-6,8,10,19H,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide?
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide has a molecular weight of 307.78 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 28666016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).