N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide

C20H15FN2O4 — CID 9077002

IUPACN-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C20H15FN2O4/c21-17-8-7-16(12-18(17)23(26)27)22-20(25)10-9-19(24)15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12H,9-10H2,(H,22,25)
InChIKeyGOUVBSVSUWUITF-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.49
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide

N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide (PubChem CID 9077002) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide
PubChem CID9077002
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC NameN-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C20H15FN2O4/c21-17-8-7-16(12-18(17)23(26)27)22-20(25)10-9-19(24)15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12H,9-10H2,(H,22,25)
InChIKeyGOUVBSVSUWUITF-UHFFFAOYSA-N
XLogP4.49
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.49
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-3-nitrophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 49097914
N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 4307047
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
(2-naphthalen-2-yl-2-oxoethyl) 4-(4-nitroanilino)-4-oxobutanoate
CID 2935824
N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide
CID 38701334
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 43053059
N-(4-fluoro-3-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7478517
N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 27163510

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide (CID 9077002) is N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide is O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
The InChIKey is GOUVBSVSUWUITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c21-17-8-7-16(12-18(17)23(26)27)22-20(25)10-9-19(24)15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12H,9-10H2,(H,22,25).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide?
N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide has a molecular weight of 366.35 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide is sourced from PubChem (CID 9077002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).