N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide

C16H18ClNO3 — CID 28666023

IUPACN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1
InChIInChI=1S/C16H18ClNO3/c1-10(2)7-16(20)18-11-3-5-14(17)13(8-11)15-6-4-12(9-19)21-15/h3-6,8,10,19H,7,9H2,1-2H3,(H,18,20)
InChIKeyXEYZURIQFRXAEU-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.08
Rot. Bonds5

About N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide

N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide (PubChem CID 28666023) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
PubChem CID28666023
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC NameN-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1
InChIInChI=1S/C16H18ClNO3/c1-10(2)7-16(20)18-11-3-5-14(17)13(8-11)15-6-4-12(9-19)21-15/h3-6,8,10,19H,7,9H2,1-2H3,(H,18,20)
InChIKeyXEYZURIQFRXAEU-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]-3-methylbutanamide
CID 28666016
N-[[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]butanamide
CID 28686707
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
CID 28672414
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 28675834
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide
CID 28665965
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide
CID 28669155
(E)-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677866
3,5-dichloro-N-[[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 28688129
3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide
CID 146147813
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-methyl-3-nitrobenzamide
CID 28671455
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 25239380

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide (CID 28666023) is N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1.
What is the InChIKey of N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide?
The InChIKey is XEYZURIQFRXAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10(2)7-16(20)18-11-3-5-14(17)13(8-11)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-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide?
N-[4-chloro-3-[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-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 28666023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).