5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide

C23H17ClFNO4 — CID 28670575

IUPAC5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C23H17ClFNO4/c1-13-10-15(3-5-17(13)21-7-4-16(12-27)29-21)26-23(28)22-9-8-20(30-22)14-2-6-19(25)18(24)11-14/h2-11,27H,12H2,1H3,(H,26,28)
InChIKeyCCBOTPZCQQZXRG-UHFFFAOYSA-N
MW425.84 g/mol
LogP6.05
Rot. Bonds5

About 5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide

5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide (PubChem CID 28670575) has the molecular formula C23H17ClFNO4 and a molecular weight of 425.84 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide
PubChem CID28670575
Molecular FormulaC23H17ClFNO4
Molecular Weight425.84 g/mol
Exact Mass425.08
IUPAC Name5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1-c1ccc(CO)o1
InChIInChI=1S/C23H17ClFNO4/c1-13-10-15(3-5-17(13)21-7-4-16(12-27)29-21)26-23(28)22-9-8-20(30-22)14-2-6-19(25)18(24)11-14/h2-11,27H,12H2,1H3,(H,26,28)
InChIKeyCCBOTPZCQQZXRG-UHFFFAOYSA-N
XLogP6.05
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.84
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-5-(3,5-dichlorophenyl)furan-2-carboxamide
CID 28670148
4-chloro-N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]carbamothioyl]benzamide
CID 28687213
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 25239380
(E)-3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]prop-2-enamide
CID 28678367
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28667689
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide (CID 28670575) is 5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1-c1ccc(CO)o1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide?
The InChIKey is CCBOTPZCQQZXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNO4/c1-13-10-15(3-5-17(13)21-7-4-16(12-27)29-21)26-23(28)22-9-8-20(30-22)14-2-6-19(25)18(24)11-14/h2-11,27H,12H2,1H3,(H,26,28).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide?
5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide has a molecular weight of 425.84 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 28670575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).