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

C24H18ClNO3 — CID 28668422

IUPACN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide
SMILESO=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H18ClNO3/c25-21-12-10-19(23-13-11-20(15-27)29-23)14-22(21)26-24(28)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,27H,15H2,(H,26,28)
InChIKeySOZLNLVHCDCNKM-UHFFFAOYSA-N
MW403.87 g/mol
LogP6.01
Rot. Bonds5

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

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide (PubChem CID 28668422) has the molecular formula C24H18ClNO3 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide
PubChem CID28668422
Molecular FormulaC24H18ClNO3
Molecular Weight403.87 g/mol
Exact Mass403.10
IUPAC NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide
SMILESO=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H18ClNO3/c25-21-12-10-19(23-13-11-20(15-27)29-23)14-22(21)26-24(28)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,27H,15H2,(H,26,28)
InChIKeySOZLNLVHCDCNKM-UHFFFAOYSA-N
XLogP6.01
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 56.01
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-fluorobenzamide
CID 28667544
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-propoxybenzamide
CID 28672597
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 28670975
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
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]-3-ethoxybenzamide
CID 28672123
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]-2-(4-chlorophenyl)acetamide
CID 28666384
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide
CID 28665680
5-[3-[(4-tert-butylbenzoyl)amino]-4-chlorophenyl]furan-2-carboxylic acid
CID 91688516
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-methylbutanamide
CID 28666016

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide (CID 28668422) is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide is O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide?
The InChIKey is SOZLNLVHCDCNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO3/c25-21-12-10-19(23-13-11-20(15-27)29-23)14-22(21)26-24(28)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,27H,15H2,(H,26,28).
What are the key properties of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide?
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide has a molecular weight of 403.87 g/mol, XLogP of 6.01, 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]-4-phenylbenzamide is sourced from PubChem (CID 28668422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).