3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide

C13H7Cl2FN2O3 — CID 3323861

IUPAC3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7Cl2FN2O3/c14-8-3-7(4-9(15)5-8)13(19)17-10-1-2-11(16)12(6-10)18(20)21/h1-6H,(H,17,19)
InChIKeyAKFDHNWOAWEIRP-UHFFFAOYSA-N
MW329.11 g/mol
LogP4.29
Rot. Bonds3

About 3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide

3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide (PubChem CID 3323861) has the molecular formula C13H7Cl2FN2O3 and a molecular weight of 329.11 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
PubChem CID3323861
Molecular FormulaC13H7Cl2FN2O3
Molecular Weight329.11 g/mol
Exact Mass327.98
IUPAC Name3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7Cl2FN2O3/c14-8-3-7(4-9(15)5-8)13(19)17-10-1-2-11(16)12(6-10)18(20)21/h1-6H,(H,17,19)
InChIKeyAKFDHNWOAWEIRP-UHFFFAOYSA-N
XLogP4.29
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.11
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215672
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
1-(3,5-dichlorophenyl)-3-(4-fluoro-3-nitrophenyl)thiourea
CID 17374901
4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696939
3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide
CID 67040567
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
CID 38926215
4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43708425
3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43346938
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide (CID 3323861) is 3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide?
The InChIKey is AKFDHNWOAWEIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O3/c14-8-3-7(4-9(15)5-8)13(19)17-10-1-2-11(16)12(6-10)18(20)21/h1-6H,(H,17,19).
What are the key properties of 3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide?
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide has a molecular weight of 329.11 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide is sourced from PubChem (CID 3323861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).