5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide

C24H16Cl2FNO3 — CID 50882533

IUPAC5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C24H16Cl2FNO3/c25-16-7-9-20(17(13-16)23(29)14-4-2-1-3-5-14)28-24(30)22-11-10-21(31-22)15-6-8-19(27)18(26)12-15/h1-13,23,29H,(H,28,30)
InChIKeyZEEIDWAJUGIPDP-UHFFFAOYSA-N
MW456.30 g/mol
LogP6.73
Rot. Bonds5

About 5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide

5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide (PubChem CID 50882533) has the molecular formula C24H16Cl2FNO3 and a molecular weight of 456.30 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
PubChem CID50882533
Molecular FormulaC24H16Cl2FNO3
Molecular Weight456.30 g/mol
Exact Mass455.05
IUPAC Name5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C24H16Cl2FNO3/c25-16-7-9-20(17(13-16)23(29)14-4-2-1-3-5-14)28-24(30)22-11-10-21(31-22)15-6-8-19(27)18(26)12-15/h1-13,23,29H,(H,28,30)
InChIKeyZEEIDWAJUGIPDP-UHFFFAOYSA-N
XLogP6.73
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.30
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 95733498
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 50882495
5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
CID 50882532
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559
5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733474
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
CID 95733609
3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
CID 50882569

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide (CID 50882533) is 5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide?
The InChIKey is ZEEIDWAJUGIPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2FNO3/c25-16-7-9-20(17(13-16)23(29)14-4-2-1-3-5-14)28-24(30)22-11-10-21(31-22)15-6-8-19(27)18(26)12-15/h1-13,23,29H,(H,28,30).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide?
5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide has a molecular weight of 456.30 g/mol, XLogP of 6.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 50882533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).