N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide

C14H11ClFN3O3 — CID 9081448

IUPACN-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
SMILESO=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H11ClFN3O3/c15-9-4-5-13(12(16)6-9)18-14(20)8-17-10-2-1-3-11(7-10)19(21)22/h1-7,17H,8H2,(H,18,20)
InChIKeyBXLFQDKAOHBMSK-UHFFFAOYSA-N
MW323.71 g/mol
LogP3.44
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide

N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide (PubChem CID 9081448) has the molecular formula C14H11ClFN3O3 and a molecular weight of 323.71 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
PubChem CID9081448
Molecular FormulaC14H11ClFN3O3
Molecular Weight323.71 g/mol
Exact Mass323.05
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
SMILESO=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H11ClFN3O3/c15-9-4-5-13(12(16)6-9)18-14(20)8-17-10-2-1-3-11(7-10)19(21)22/h1-7,17H,8H2,(H,18,20)
InChIKeyBXLFQDKAOHBMSK-UHFFFAOYSA-N
XLogP3.44
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 53.44
H-Bond Donors ≤ 52
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-(5-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 17419612
2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 9345460
2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
CID 9099675
N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102471
N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
CID 8933282
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666459
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 2567979
1-(3-nitroanilino)propan-2-one
CID 141021170
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
2-chloro-N-(3-nitrophenyl)acetamide;N-(2-hydroxyethyl)-2-(3-nitroanilino)acetamide
CID 87642861

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide (CID 9081448) is N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide is O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide?
The InChIKey is BXLFQDKAOHBMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O3/c15-9-4-5-13(12(16)6-9)18-14(20)8-17-10-2-1-3-11(7-10)19(21)22/h1-7,17H,8H2,(H,18,20).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide has a molecular weight of 323.71 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide is sourced from PubChem (CID 9081448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).