3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide

C19H16ClNO4 — CID 28667496

IUPAC3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2cccc(Cl)c2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C19H16ClNO4/c1-24-18-10-14(21-19(23)12-3-2-4-13(20)9-12)5-7-16(18)17-8-6-15(11-22)25-17/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyKFXZNQSNTWNSSR-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.35
Rot. Bonds5

About 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide

3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide (PubChem CID 28667496) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
PubChem CID28667496
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2cccc(Cl)c2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C19H16ClNO4/c1-24-18-10-14(21-19(23)12-3-2-4-13(20)9-12)5-7-16(18)17-8-6-15(11-22)25-17/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyKFXZNQSNTWNSSR-UHFFFAOYSA-N
XLogP4.35
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]naphthalene-2-carboxamide
CID 28668742
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 28675012
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057
3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28667412
5-chloro-N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-2-methoxybenzamide
CID 28687745
2-fluoro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667056
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675598
3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28672132
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide
CID 28666099
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide
CID 28667348
3-chloro-4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]benzamide
CID 28688107
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
CID 28672414

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide (CID 28667496) is 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide is COc1cc(NC(=O)c2cccc(Cl)c2)ccc1-c1ccc(CO)o1.
What is the InChIKey of 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide?
The InChIKey is KFXZNQSNTWNSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-24-18-10-14(21-19(23)12-3-2-4-13(20)9-12)5-7-16(18)17-8-6-15(11-22)25-17/h2-10,22H,11H2,1H3,(H,21,23).
What are the key properties of 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide?
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide has a molecular weight of 357.79 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide is sourced from PubChem (CID 28667496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).