5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide

C18H11ClF2N2O4 — CID 75416181

IUPAC5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide
SMILESO=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C18H11ClF2N2O4/c19-11-3-5-16(23(25)26)14(8-11)18(24)22(10-13-2-1-7-27-13)17-6-4-12(20)9-15(17)21/h1-9H,10H2
InChIKeyIBRIWAZEHBHQIC-UHFFFAOYSA-N
MW392.75 g/mol
LogP4.97
Rot. Bonds5

About 5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide

5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide (PubChem CID 75416181) has the molecular formula C18H11ClF2N2O4 and a molecular weight of 392.75 g/mol. Its IUPAC name is 5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide
PubChem CID75416181
Molecular FormulaC18H11ClF2N2O4
Molecular Weight392.75 g/mol
Exact Mass392.04
IUPAC Name5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide
SMILESO=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C18H11ClF2N2O4/c19-11-3-5-16(23(25)26)14(8-11)18(24)22(10-13-2-1-7-27-13)17-6-4-12(20)9-15(17)21/h1-9H,10H2
InChIKeyIBRIWAZEHBHQIC-UHFFFAOYSA-N
XLogP4.97
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.75
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 55888843
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55890384
N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9334177
1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 71889559
N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 55889356
N-(2,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 55889353
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide
CID 55889992
2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide
CID 8841188
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-phenoxypropanamide
CID 55889101
N,N-dibenzyl-5-chloro-2-nitrobenzamide
CID 1222313
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18079967
5-[ethyl(furan-2-ylmethyl)amino]-2-nitrobenzoic acid
CID 61421164

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide (CID 75416181) is 5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide is O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1ccco1)c1ccc(F)cc1F.
What is the InChIKey of 5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide?
The InChIKey is IBRIWAZEHBHQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2O4/c19-11-3-5-16(23(25)26)14(8-11)18(24)22(10-13-2-1-7-27-13)17-6-4-12(20)9-15(17)21/h1-9H,10H2.
What are the key properties of 5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide?
5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide has a molecular weight of 392.75 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide is sourced from PubChem (CID 75416181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).