N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide

C20H16ClN3O4 — CID 4939956

IUPACN-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H16ClN3O4/c1-13(28-17-8-7-15-4-2-3-5-16(15)11-17)20(25)23-22-12-14-6-9-18(21)19(10-14)24(26)27/h2-13H,1H3,(H,23,25)
InChIKeyQFHWAIYPGIGQAC-UHFFFAOYSA-N
MW397.82 g/mol
LogP4.32
Rot. Bonds6

About N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide

N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide (PubChem CID 4939956) has the molecular formula C20H16ClN3O4 and a molecular weight of 397.82 g/mol. Its IUPAC name is N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
PubChem CID4939956
Molecular FormulaC20H16ClN3O4
Molecular Weight397.82 g/mol
Exact Mass397.08
IUPAC NameN-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H16ClN3O4/c1-13(28-17-8-7-15-4-2-3-5-16(15)11-17)20(25)23-22-12-14-6-9-18(21)19(10-14)24(26)27/h2-13H,1H3,(H,23,25)
InChIKeyQFHWAIYPGIGQAC-UHFFFAOYSA-N
XLogP4.32
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 5061893
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
2-(2-bromo-4-methylphenoxy)-N-[(4-chloro-3-nitrophenyl)methylideneamino]propanamide
CID 2789100
(2R)-2-(2-bromo-4-methylphenoxy)-N-[(4-chloro-3-nitrophenyl)methylideneamino]propanamide
CID 1183451
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanamide
CID 135805022
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide
CID 3920293
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4634005
2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7167427
methyl N-[(4-chloro-3-nitrophenyl)methylideneamino]carbamate
CID 909430
(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 787801

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide (CID 4939956) is N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide is CC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The InChIKey is QFHWAIYPGIGQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4/c1-13(28-17-8-7-15-4-2-3-5-16(15)11-17)20(25)23-22-12-14-6-9-18(21)19(10-14)24(26)27/h2-13H,1H3,(H,23,25).
What are the key properties of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide has a molecular weight of 397.82 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 4939956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).