4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide

C18H11ClFN3O3 — CID 59672710

IUPAC4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C18H11ClFN3O3/c19-15-2-1-9-21-17(15)11-3-8-14(16(20)10-11)18(24)22-12-4-6-13(7-5-12)23(25)26/h1-10H,(H,22,24)
InChIKeyKYWQITIYKBUOCX-UHFFFAOYSA-N
MW371.76 g/mol
LogP4.70
Rot. Bonds4

About 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide

4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide (PubChem CID 59672710) has the molecular formula C18H11ClFN3O3 and a molecular weight of 371.76 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide
PubChem CID59672710
Molecular FormulaC18H11ClFN3O3
Molecular Weight371.76 g/mol
Exact Mass371.05
IUPAC Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C18H11ClFN3O3/c19-15-2-1-9-21-17(15)11-3-8-14(16(20)10-11)18(24)22-12-4-6-13(7-5-12)23(25)26/h1-10H,(H,22,24)
InChIKeyKYWQITIYKBUOCX-UHFFFAOYSA-N
XLogP4.70
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.76
LogP ≤ 54.70
H-Bond Donors ≤ 51
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

4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-methoxyphenyl)benzamide
CID 11337240
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide
CID 11484943
2-amino-N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)benzamide
CID 59673398
N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 11381243
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide
CID 11451124
N-(3-chloro-4-hydroxyphenyl)-2-fluoro-4-nitrobenzamide
CID 63948000
4-(3-chloro-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]benzamide
CID 86100465
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612
N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide
CID 103819257

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide (CID 59672710) is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ncccc2Cl)cc1F.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide?
The InChIKey is KYWQITIYKBUOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O3/c19-15-2-1-9-21-17(15)11-3-8-14(16(20)10-11)18(24)22-12-4-6-13(7-5-12)23(25)26/h1-10H,(H,22,24).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide?
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide has a molecular weight of 371.76 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 59672710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).