N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide

C14H10Cl2FN3O3 — CID 9099793

IUPACN-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
SMILESO=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2FN3O3/c15-10-3-1-9(5-11(10)16)19-14(21)7-18-8-2-4-12(17)13(6-8)20(22)23/h1-6,18H,7H2,(H,19,21)
InChIKeyLSARGXFRDAFTNV-UHFFFAOYSA-N
MW358.16 g/mol
LogP4.09
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide

N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide (PubChem CID 9099793) has the molecular formula C14H10Cl2FN3O3 and a molecular weight of 358.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
PubChem CID9099793
Molecular FormulaC14H10Cl2FN3O3
Molecular Weight358.16 g/mol
Exact Mass357.01
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
SMILESO=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2FN3O3/c15-10-3-1-9(5-11(10)16)19-14(21)7-18-8-2-4-12(17)13(6-8)20(22)23/h1-6,18H,7H2,(H,19,21)
InChIKeyLSARGXFRDAFTNV-UHFFFAOYSA-N
XLogP4.09
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 54.09
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

2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9099829
N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 2656438
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
CID 18078607
2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
CID 7973820
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide
CID 26438778
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
CID 82865777
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
2-(4-fluoro-3-nitroanilino)-N-propylacetamide
CID 32897607
2-(4-chloro-3-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 47313465

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide (CID 9099793) is N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide is O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide?
The InChIKey is LSARGXFRDAFTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3O3/c15-10-3-1-9(5-11(10)16)19-14(21)7-18-8-2-4-12(17)13(6-8)20(22)23/h1-6,18H,7H2,(H,19,21).
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide?
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide has a molecular weight of 358.16 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide is sourced from PubChem (CID 9099793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).