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

C15H16ClNO3 — CID 28665680

IUPACN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl
InChIInChI=1S/C15H16ClNO3/c1-2-3-15(19)17-13-8-10(4-6-12(13)16)14-7-5-11(9-18)20-14/h4-8,18H,2-3,9H2,1H3,(H,17,19)
InChIKeyNNCIFZDFESCLFN-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.83
Rot. Bonds5

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

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide (PubChem CID 28665680) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide
PubChem CID28665680
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl
InChIInChI=1S/C15H16ClNO3/c1-2-3-15(19)17-13-8-10(4-6-12(13)16)14-7-5-11(9-18)20-14/h4-8,18H,2-3,9H2,1H3,(H,17,19)
InChIKeyNNCIFZDFESCLFN-UHFFFAOYSA-N
XLogP3.83
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
CID 28666016
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 28666384
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]-4-propoxybenzamide
CID 28672597
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]-2,2-dimethylpropanamide
CID 28686820
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-ethoxybenzamide
CID 28672123
5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687991
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide
CID 28667544

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide?
The IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide (CID 28665680) is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide.
What is the SMILES notation for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide?
The canonical SMILES for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide is CCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide?
The InChIKey is NNCIFZDFESCLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-2-3-15(19)17-13-8-10(4-6-12(13)16)14-7-5-11(9-18)20-14/h4-8,18H,2-3,9H2,1H3,(H,17,19).
What are the key properties of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide?
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide has a molecular weight of 293.75 g/mol, XLogP of 3.83, 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]butanamide is sourced from PubChem (CID 28665680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).