(2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide

C20H18FN3O — CID 5390583

IUPAC(2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
SMILESC[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C20H18FN3O/c1-14(20(25)24-22-13-17-8-4-5-9-19(17)21)23-18-11-10-15-6-2-3-7-16(15)12-18/h2-14,23H,1H3,(H,24,25)/b22-13-/t14-/m0/s1
InChIKeySEIOYUYDQQEUHI-CRRPLPBISA-N
MW335.38 g/mol
LogP3.93
Rot. Bonds5

About (2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide

(2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide (PubChem CID 5390583) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is (2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
PubChem CID5390583
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name(2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
SMILESC[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C20H18FN3O/c1-14(20(25)24-22-13-17-8-4-5-9-19(17)21)23-18-11-10-15-6-2-3-7-16(15)12-18/h2-14,23H,1H3,(H,24,25)/b22-13-/t14-/m0/s1
InChIKeySEIOYUYDQQEUHI-CRRPLPBISA-N
XLogP3.93
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(2-chlorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 1278023
(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 40516210
(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390537
(2R)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 136858303
(2S)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 135688928
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390587
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 7784433
(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 136858114
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 135679097
(2S)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397743
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 4264339
(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397742

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The IUPAC name of (2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide (CID 5390583) is (2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide.
What is the SMILES notation for (2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The canonical SMILES for (2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide is C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C\c1ccccc1F.
What is the InChIKey of (2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The InChIKey is SEIOYUYDQQEUHI-CRRPLPBISA-N. The full InChI is InChI=1S/C20H18FN3O/c1-14(20(25)24-22-13-17-8-4-5-9-19(17)21)23-18-11-10-15-6-2-3-7-16(15)12-18/h2-14,23H,1H3,(H,24,25)/b22-13-/t14-/m0/s1.
What are the key properties of (2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
(2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide has a molecular weight of 335.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide is sourced from PubChem (CID 5390583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).