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

C24H17BrClNO3 — CID 50882532

IUPAC5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C24H17BrClNO3/c25-19-9-5-4-8-17(19)21-12-13-22(30-21)24(29)27-20-11-10-16(26)14-18(20)23(28)15-6-2-1-3-7-15/h1-14,23,28H,(H,27,29)
InChIKeyGEZJEHQSWUJJEO-UHFFFAOYSA-N
MW482.76 g/mol
LogP6.70
Rot. Bonds5

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

5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide (PubChem CID 50882532) has the molecular formula C24H17BrClNO3 and a molecular weight of 482.76 g/mol. Its IUPAC name is 5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
PubChem CID50882532
Molecular FormulaC24H17BrClNO3
Molecular Weight482.76 g/mol
Exact Mass481.01
IUPAC Name5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C24H17BrClNO3/c25-19-9-5-4-8-17(19)21-12-13-22(30-21)24(29)27-20-11-10-16(26)14-18(20)23(28)15-6-2-1-3-7-15/h1-14,23,28H,(H,27,29)
InChIKeyGEZJEHQSWUJJEO-UHFFFAOYSA-N
XLogP6.70
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.76
LogP ≤ 56.70
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
5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
CID 50882533
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 50882495
N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 100829833
5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733477
N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 91687442
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
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
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
CID 95733609
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide (CID 50882532) is 5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccc(-c2ccccc2Br)o1.
What is the InChIKey of 5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide?
The InChIKey is GEZJEHQSWUJJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrClNO3/c25-19-9-5-4-8-17(19)21-12-13-22(30-21)24(29)27-20-11-10-16(26)14-18(20)23(28)15-6-2-1-3-7-15/h1-14,23,28H,(H,27,29).
What are the key properties of 5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide?
5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide has a molecular weight of 482.76 g/mol, XLogP of 6.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 50882532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).