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

C24H17Cl2NO3 — CID 95733498

IUPACN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H17Cl2NO3/c25-17-8-6-15(7-9-17)21-12-13-22(30-21)24(29)27-20-11-10-18(26)14-19(20)23(28)16-4-2-1-3-5-16/h1-14,23,28H,(H,27,29)/t23-/m0/s1
InChIKeyJKSLZFQEEHPTQR-QHCPKHFHSA-N
MW438.31 g/mol
LogP6.59
Rot. Bonds5

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

N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 95733498) has the molecular formula C24H17Cl2NO3 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID95733498
Molecular FormulaC24H17Cl2NO3
Molecular Weight438.31 g/mol
Exact Mass437.06
IUPAC NameN-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H17Cl2NO3/c25-17-8-6-15(7-9-17)21-12-13-22(30-21)24(29)27-20-11-10-18(26)14-19(20)23(28)16-4-2-1-3-5-16/h1-14,23,28H,(H,27,29)/t23-/m0/s1
InChIKeyJKSLZFQEEHPTQR-QHCPKHFHSA-N
XLogP6.59
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
CID 50882533
5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
CID 50882532
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 50882495
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-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide
CID 23995235
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
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide
CID 50882577
5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
CID 43029737

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide (CID 95733498) is N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is JKSLZFQEEHPTQR-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H17Cl2NO3/c25-17-8-6-15(7-9-17)21-12-13-22(30-21)24(29)27-20-11-10-18(26)14-19(20)23(28)16-4-2-1-3-5-16/h1-14,23,28H,(H,27,29)/t23-/m0/s1.
What are the key properties of N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide has a molecular weight of 438.31 g/mol, XLogP of 6.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 95733498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).