2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide

C18H10Cl3F2NO2 — CID 2174440

IUPAC2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C18H10Cl3F2NO2/c19-9-1-3-11(13(20)5-9)17-4-2-10(26-17)8-24-18(25)12-6-15(22)16(23)7-14(12)21/h1-7H,8H2,(H,24,25)
InChIKeyOXPHKXWPCPKPIA-UHFFFAOYSA-N
MW416.64 g/mol
LogP6.11
Rot. Bonds4

About 2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide

2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide (PubChem CID 2174440) has the molecular formula C18H10Cl3F2NO2 and a molecular weight of 416.64 g/mol. Its IUPAC name is 2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide
PubChem CID2174440
Molecular FormulaC18H10Cl3F2NO2
Molecular Weight416.64 g/mol
Exact Mass414.97
IUPAC Name2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C18H10Cl3F2NO2/c19-9-1-3-11(13(20)5-9)17-4-2-10(26-17)8-24-18(25)12-6-15(22)16(23)7-14(12)21/h1-7H,8H2,(H,24,25)
InChIKeyOXPHKXWPCPKPIA-UHFFFAOYSA-N
XLogP6.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.64
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
CID 1446213
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide
CID 91686857
4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 4724324
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330
4-chloro-2-methyl-N-[(5-phenylfuran-2-yl)methyl]benzamide
CID 166341635
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 28669866
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110909050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide (CID 2174440) is 2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide is O=C(NCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide?
The InChIKey is OXPHKXWPCPKPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3F2NO2/c19-9-1-3-11(13(20)5-9)17-4-2-10(26-17)8-24-18(25)12-6-15(22)16(23)7-14(12)21/h1-7H,8H2,(H,24,25).
What are the key properties of 2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide?
2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide has a molecular weight of 416.64 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide is sourced from PubChem (CID 2174440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).