N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide

C23H20FN3O — CID 142836347

IUPACN-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide
SMILES[H]/N=C(/C=C/c1ccc2ccccc2c1)c1cc(NC(=O)C2CC2)c(F)cc1N
InChIInChI=1S/C23H20FN3O/c24-19-13-21(26)18(12-22(19)27-23(28)16-8-9-16)20(25)10-6-14-5-7-15-3-1-2-4-17(15)11-14/h1-7,10-13,16,25H,8-9,26H2,(H,27,28)/b10-6+,25-20-
InChIKeyXTNGALFCTOXWNW-HWEUDGKPSA-N
MW373.43 g/mol
LogP4.99
Rot. Bonds5

About N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide

N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide (PubChem CID 142836347) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide
PubChem CID142836347
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC NameN-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide
SMILES[H]/N=C(/C=C/c1ccc2ccccc2c1)c1cc(NC(=O)C2CC2)c(F)cc1N
InChIInChI=1S/C23H20FN3O/c24-19-13-21(26)18(12-22(19)27-23(28)16-8-9-16)20(25)10-6-14-5-7-15-3-1-2-4-17(15)11-14/h1-7,10-13,16,25H,8-9,26H2,(H,27,28)/b10-6+,25-20-
InChIKeyXTNGALFCTOXWNW-HWEUDGKPSA-N
XLogP4.99
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-2-fluoro-5-[(E)-3-(4-fluorophenyl)prop-2-enimidoyl]phenyl]-1-cyanocyclopropane-1-carboxamide
CID 142835675
N-[4-amino-2-fluoro-5-[(E)-3-(4-fluoro-3-methoxyphenyl)prop-2-enimidoyl]phenyl]-2-thiophen-2-ylacetamide
CID 142836534
1-N-[1-[4-[1-(dimethylamino)ethenyl]cyclopenta-1,3-dien-1-yl]ethenyl]-2-fluoro-5-[(E)-3-(4-fluorophenyl)prop-2-enimidoyl]benzene-1,4-diamine
CID 142836559
2-fluoro-5-[(E)-3-(4-fluorophenyl)prop-2-enimidoyl]-1-N-(1-pyrazin-2-ylethenyl)benzene-1,4-diamine
CID 142835684
4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline
CID 142077134
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
N-(cyclopentylmethyl)ethenamine;5-fluoro-2-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]-4-methylaniline
CID 142835831
(E)-3-naphthalen-2-ylprop-2-enehydrazide
CID 70290410
3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
CID 7131661
ethyl 4-amino-2-fluoro-5-[(E)-3-(3-fluorophenyl)prop-2-enimidoyl]benzenecarboximidate
CID 142836408
3-[4-(cyclopentanecarbonylamino)-3-methylphenyl]prop-2-enoic acid
CID 76907747
N-[4-amino-3-fluoro-5-(naphthalene-2-carboximidoyl)phenyl]oxolane-3-carboxamide
CID 142178955

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide (CID 142836347) is N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide is [H]/N=C(/C=C/c1ccc2ccccc2c1)c1cc(NC(=O)C2CC2)c(F)cc1N.
What is the InChIKey of N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is XTNGALFCTOXWNW-HWEUDGKPSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-19-13-21(26)18(12-22(19)27-23(28)16-8-9-16)20(25)10-6-14-5-7-15-3-1-2-4-17(15)11-14/h1-7,10-13,16,25H,8-9,26H2,(H,27,28)/b10-6+,25-20-.
What are the key properties of N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide?
N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 373.43 g/mol, XLogP of 4.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-fluoro-5-[(E)-3-naphthalen-2-ylprop-2-enimidoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 142836347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).