N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

C21H17Cl3N2O2 — CID 17272468

IUPACN-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C21H17Cl3N2O2/c22-13-3-5-15(16(23)11-13)19-7-8-20(28-19)21(27)25-14-4-6-18(17(24)12-14)26-9-1-2-10-26/h3-8,11-12H,1-2,9-10H2,(H,25,27)
InChIKeyMJMMCWVDBUVDCV-UHFFFAOYSA-N
MW435.74 g/mol
LogP6.76
Rot. Bonds4

About N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 17272468) has the molecular formula C21H17Cl3N2O2 and a molecular weight of 435.74 g/mol. Its IUPAC name is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID17272468
Molecular FormulaC21H17Cl3N2O2
Molecular Weight435.74 g/mol
Exact Mass434.04
IUPAC NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C21H17Cl3N2O2/c22-13-3-5-15(16(23)11-13)19-7-8-20(28-19)21(27)25-14-4-6-18(17(24)12-14)26-9-1-2-10-26/h3-8,11-12H,1-2,9-10H2,(H,25,27)
InChIKeyMJMMCWVDBUVDCV-UHFFFAOYSA-N
XLogP6.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.74
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17318351
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17319329
N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5032750
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 28669866
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3958836
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17111808
5-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 9092313
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17319211
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
5-(2,4-dichlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17335297

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 17272468) is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is MJMMCWVDBUVDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O2/c22-13-3-5-15(16(23)11-13)19-7-8-20(28-19)21(27)25-14-4-6-18(17(24)12-14)26-9-1-2-10-26/h3-8,11-12H,1-2,9-10H2,(H,25,27).
What are the key properties of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 435.74 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17272468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).