5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide

C22H20Cl2N2O3 — CID 2002810

IUPAC5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1
InChIInChI=1S/C22H20Cl2N2O3/c1-2-3-7-21(27)25-15-5-4-6-16(13-15)26-22(28)20-11-10-19(29-20)17-12-14(23)8-9-18(17)24/h4-6,8-13H,2-3,7H2,1H3,(H,25,27)(H,26,28)
InChIKeyHIQXRMYPJQDPOX-UHFFFAOYSA-N
MW431.32 g/mol
LogP6.63
Rot. Bonds7

About 5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide

5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide (PubChem CID 2002810) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide
PubChem CID2002810
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1
InChIInChI=1S/C22H20Cl2N2O3/c1-2-3-7-21(27)25-15-5-4-6-16(13-15)26-22(28)20-11-10-19(29-20)17-12-14(23)8-9-18(17)24/h4-6,8-13H,2-3,7H2,1H3,(H,25,27)(H,26,28)
InChIKeyHIQXRMYPJQDPOX-UHFFFAOYSA-N
XLogP6.63
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 2892817
N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757
N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 17115679
N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 21170409
5-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 9092313
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 5343907
N-[4-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117653
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-(2-nitrophenyl)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17109713
N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 4512437
5-(2,5-dichlorophenyl)-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]furan-2-carboxamide
CID 5141690

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide (CID 2002810) is 5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide is CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide?
The InChIKey is HIQXRMYPJQDPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-2-3-7-21(27)25-15-5-4-6-16(13-15)26-22(28)20-11-10-19(29-20)17-12-14(23)8-9-18(17)24/h4-6,8-13H,2-3,7H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide?
5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide has a molecular weight of 431.32 g/mol, XLogP of 6.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2002810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).