N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide

C26H16Cl2N2O4 — CID 17117664

IUPACN-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C26H16Cl2N2O4/c27-19-10-5-16(13-20(19)28)22-11-12-23(33-22)25(31)29-17-6-8-18(9-7-17)30-26(32)24-14-15-3-1-2-4-21(15)34-24/h1-14H,(H,29,31)(H,30,32)
InChIKeyBUVDPKYFTXLDLH-UHFFFAOYSA-N
MW491.33 g/mol
LogP7.50
Rot. Bonds5

About N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide

N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 17117664) has the molecular formula C26H16Cl2N2O4 and a molecular weight of 491.33 g/mol. Its IUPAC name is N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID17117664
Molecular FormulaC26H16Cl2N2O4
Molecular Weight491.33 g/mol
Exact Mass490.05
IUPAC NameN-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C26H16Cl2N2O4/c27-19-10-5-16(13-20(19)28)22-11-12-23(33-22)25(31)29-17-6-8-18(9-7-17)30-26(32)24-14-15-3-1-2-4-21(15)34-24/h1-14H,(H,29,31)(H,30,32)
InChIKeyBUVDPKYFTXLDLH-UHFFFAOYSA-N
XLogP7.50
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.33
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117653
N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24708217
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1107583
4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28669924
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124272
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17117616
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 100828257
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3381249

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide (CID 17117664) is N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is BUVDPKYFTXLDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2N2O4/c27-19-10-5-16(13-20(19)28)22-11-12-23(33-22)25(31)29-17-6-8-18(9-7-17)30-26(32)24-14-15-3-1-2-4-21(15)34-24/h1-14H,(H,29,31)(H,30,32).
What are the key properties of N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 491.33 g/mol, XLogP of 7.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17117664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).