N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

C20H17FN2O4 — CID 72684236

IUPACN-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2c1
InChIInChI=1S/C20H17FN2O4/c1-12(13-3-4-15-10-17(27-2)7-5-14(15)9-13)20(24)22-16-6-8-18(21)19(11-16)23(25)26/h3-12H,1-2H3,(H,22,24)
InChIKeyJMOKWJLTZPDCLU-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.64
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 72684236) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID72684236
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2c1
InChIInChI=1S/C20H17FN2O4/c1-12(13-3-4-15-10-17(27-2)7-5-14(15)9-13)20(24)22-16-6-8-18(21)19(11-16)23(25)26/h3-12H,1-2H3,(H,22,24)
InChIKeyJMOKWJLTZPDCLU-UHFFFAOYSA-N
XLogP4.64
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.64
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

(2S)-N-(4-fluoro-3-nitrophenyl)-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide
CID 8646157
N-(4-fluoro-3-nitrophenyl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55348406
N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55363194
[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952883
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9309061
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
(2R)-N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 135955331
N-(4-fluoro-3-nitrophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 49097914

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 72684236) is N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc(C(C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc2c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is JMOKWJLTZPDCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-12(13-3-4-15-10-17(27-2)7-5-14(15)9-13)20(24)22-16-6-8-18(21)19(11-16)23(25)26/h3-12H,1-2H3,(H,22,24).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 368.36 g/mol, XLogP of 4.64, 5 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)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 72684236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).