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

C18H13Cl2NO3 — CID 28667689

IUPAC4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2NO3/c19-12-3-1-11(2-4-12)18(23)21-13-5-7-15(16(20)9-13)17-8-6-14(10-22)24-17/h1-9,22H,10H2,(H,21,23)
InChIKeyQUJVBQNOICWHQQ-UHFFFAOYSA-N
MW362.21 g/mol
LogP5.00
Rot. Bonds4

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

4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide (PubChem CID 28667689) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is 4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
PubChem CID28667689
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Name4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2NO3/c19-12-3-1-11(2-4-12)18(23)21-13-5-7-15(16(20)9-13)17-8-6-14(10-22)24-17/h1-9,22H,10H2,(H,21,23)
InChIKeyQUJVBQNOICWHQQ-UHFFFAOYSA-N
XLogP5.00
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 28669866
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide
CID 28667348
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,5-dichlorophenyl)furan-2-carboxamide
CID 28670148
3-bromo-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-ethoxybenzamide
CID 28673589
4-chloro-N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]carbamothioyl]benzamide
CID 28687213
N-[[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 28688010
N-[[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-ethoxybenzamide
CID 28687938
N-[[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 28688490
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496
5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide
CID 28670575
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
CID 28671192
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 28675012

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide (CID 28667689) is 4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
The InChIKey is QUJVBQNOICWHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c19-12-3-1-11(2-4-12)18(23)21-13-5-7-15(16(20)9-13)17-8-6-14(10-22)24-17/h1-9,22H,10H2,(H,21,23).
What are the key properties of 4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide?
4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide has a molecular weight of 362.21 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide is sourced from PubChem (CID 28667689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).