N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide

C18H12ClN3O3 — CID 94847766

IUPACN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C18H12ClN3O3/c19-17-9-8-14(22(24)25)10-13(17)11-20-21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,21,23)/b20-11-
InChIKeyPRMBCHAQVOZEEP-JAIQZWGSSA-N
MW353.77 g/mol
LogP4.17
Rot. Bonds4

About N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide

N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 94847766) has the molecular formula C18H12ClN3O3 and a molecular weight of 353.77 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID94847766
Molecular FormulaC18H12ClN3O3
Molecular Weight353.77 g/mol
Exact Mass353.06
IUPAC NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C18H12ClN3O3/c19-17-9-8-14(22(24)25)10-13(17)11-20-21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,21,23)/b20-11-
InChIKeyPRMBCHAQVOZEEP-JAIQZWGSSA-N
XLogP4.17
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603
2-chloro-N-[(E)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide
CID 5334573
N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
CID 3708913
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 9012184
2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
CID 4507805
[2-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]-4-nitrophenyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 126224631
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
CID 9016544
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 5417751
2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide
CID 4520200
2-hydroxy-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 137026862

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide (CID 94847766) is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide is O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc12.
What is the InChIKey of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is PRMBCHAQVOZEEP-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H12ClN3O3/c19-17-9-8-14(22(24)25)10-13(17)11-20-21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 353.77 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 94847766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).