N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C19H15ClFN3O — CID 6045668

IUPACN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C19H15ClFN3O/c20-16-8-4-9-17(21)15(16)11-23-24-19(25)12-22-18-10-3-6-13-5-1-2-7-14(13)18/h1-11,22H,12H2,(H,24,25)/b23-11-
InChIKeyNRGYBXLCQGSPPH-KSEXSDGBSA-N
MW355.80 g/mol
LogP4.19
Rot. Bonds5

About N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 6045668) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID6045668
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)N/N=C\c1c(F)cccc1Cl
InChIInChI=1S/C19H15ClFN3O/c20-16-8-4-9-17(21)15(16)11-23-24-19(25)12-22-18-10-3-6-13-5-1-2-7-14(13)18/h1-11,22H,12H2,(H,24,25)/b23-11-
InChIKeyNRGYBXLCQGSPPH-KSEXSDGBSA-N
XLogP4.19
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.19
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

N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide
CID 6902694
2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
CID 71699766
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019936
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methylbutanamide
CID 4157167
N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 126394581
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5457961
4-[[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4983931
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
N-[2-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 7976843
N'-[(2-chloro-6-fluorophenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 3130667
N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 94837776

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 6045668) is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is O=C(CNc1cccc2ccccc12)N/N=C\c1c(F)cccc1Cl.
What is the InChIKey of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is NRGYBXLCQGSPPH-KSEXSDGBSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c20-16-8-4-9-17(21)15(16)11-23-24-19(25)12-22-18-10-3-6-13-5-1-2-7-14(13)18/h1-11,22H,12H2,(H,24,25)/b23-11-.
What are the key properties of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 355.80 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 6045668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).