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

C18H11ClFN3O3 — CID 11485559

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

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

4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide (PubChem CID 11485559) has the molecular formula C18H11ClFN3O3 and a molecular weight of 371.76 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide
PubChem CID11485559
Molecular FormulaC18H11ClFN3O3
Molecular Weight371.76 g/mol
Exact Mass371.05
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2ncccc2Cl)cc1
InChIInChI=1S/C18H11ClFN3O3/c19-14-2-1-9-21-17(14)11-3-5-12(6-4-11)18(24)22-15-8-7-13(20)10-16(15)23(25)26/h1-10H,(H,22,24)
InChIKeyMMNGXOYADVJYJX-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

N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide
CID 43346653
4-(3-chloro-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]benzamide
CID 86100465
N-(3-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 103943386
N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide
CID 110461612
N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 61260209
N-(2-chloro-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 60714349
4-(3-chloro-2-pyridinyl)-N-(4-phenylphenyl)benzamide
CID 11234504
(4-fluoro-2-nitrophenyl)urea
CID 69476086
3-chloro-N-(2-chloro-3-pyridinyl)-4-nitrobenzamide
CID 821596
4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 59672700
3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 103873201

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide (CID 11485559) is 4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide is O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2ncccc2Cl)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide?
The InChIKey is MMNGXOYADVJYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O3/c19-14-2-1-9-21-17(14)11-3-5-12(6-4-11)18(24)22-15-8-7-13(20)10-16(15)23(25)26/h1-10H,(H,22,24).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide?
4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-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)-N-(4-fluoro-2-nitrophenyl)benzamide is sourced from PubChem (CID 11485559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).