3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide

C20H13Cl2NO4 — CID 146147813

IUPAC3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1oc2ccccc2c1Cl
InChIInChI=1S/C20H13Cl2NO4/c21-15-7-5-11(9-14(15)17-8-6-12(10-24)26-17)23-20(25)19-18(22)13-3-1-2-4-16(13)27-19/h1-9,24H,10H2,(H,23,25)
InChIKeyGJSDPRSYMMNEDT-UHFFFAOYSA-N
MW402.23 g/mol
LogP5.74
Rot. Bonds4

About 3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide

3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 146147813) has the molecular formula C20H13Cl2NO4 and a molecular weight of 402.23 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID146147813
Molecular FormulaC20H13Cl2NO4
Molecular Weight402.23 g/mol
Exact Mass401.02
IUPAC Name3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1oc2ccccc2c1Cl
InChIInChI=1S/C20H13Cl2NO4/c21-15-7-5-11(9-14(15)17-8-6-12(10-24)26-17)23-20(25)19-18(22)13-3-1-2-4-16(13)27-19/h1-9,24H,10H2,(H,23,25)
InChIKeyGJSDPRSYMMNEDT-UHFFFAOYSA-N
XLogP5.74
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.23
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide
CID 28669155
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
CID 28671192
N-[[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]butanamide
CID 28686707
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
CID 28672414
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
CID 28666023
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-methyl-3-nitrobenzamide
CID 28671455
3,5-dichloro-N-[[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 28688129
4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28667689
5-bromo-N-[[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 28688461
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 28669866
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide
CID 28667348
(E)-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677866

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide (CID 146147813) is 3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1oc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is GJSDPRSYMMNEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO4/c21-15-7-5-11(9-14(15)17-8-6-12(10-24)26-17)23-20(25)19-18(22)13-3-1-2-4-16(13)27-19/h1-9,24H,10H2,(H,23,25).
What are the key properties of 3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide?
3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 402.23 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 146147813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).