N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide

C18H19FN4O4 — CID 9250777

IUPACN-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H19FN4O4/c1-12-5-3-8-15(23(26)27)18(12)21-17(25)11-22(2)10-16(24)20-14-7-4-6-13(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyIRQUXBGUMVSXDB-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.55
Rot. Bonds7

About N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide

N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide (PubChem CID 9250777) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide
PubChem CID9250777
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H19FN4O4/c1-12-5-3-8-15(23(26)27)18(12)21-17(25)11-22(2)10-16(24)20-14-7-4-6-13(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyIRQUXBGUMVSXDB-UHFFFAOYSA-N
XLogP2.55
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 9251378
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8964424
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide
CID 9439693
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9123048
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8805437
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide (CID 9250777) is N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide is Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is IRQUXBGUMVSXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c1-12-5-3-8-15(23(26)27)18(12)21-17(25)11-22(2)10-16(24)20-14-7-4-6-13(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide?
N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 374.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9250777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).