N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide

C19H15ClN2O — CID 110524954

IUPACN-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)N/N=C\c1cccc(Cl)c1
InChIInChI=1S/C19H15ClN2O/c1-13-9-10-15-6-2-3-8-17(15)18(13)19(23)22-21-12-14-5-4-7-16(20)11-14/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyTVGUNNVCAOEIDP-MTJSOVHGSA-N
MW322.80 g/mol
LogP4.57
Rot. Bonds3

About N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide

N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide (PubChem CID 110524954) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
PubChem CID110524954
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC NameN-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)N/N=C\c1cccc(Cl)c1
InChIInChI=1S/C19H15ClN2O/c1-13-9-10-15-6-2-3-8-17(15)18(13)19(23)22-21-12-14-5-4-7-16(20)11-14/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyTVGUNNVCAOEIDP-MTJSOVHGSA-N
XLogP4.57
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524945
2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 110524827
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524931
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524921
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524775
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524819
N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 75087504
2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 110524912
N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54677792
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide (CID 110524954) is N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide is Cc1ccc2ccccc2c1C(=O)N/N=C\c1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The InChIKey is TVGUNNVCAOEIDP-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H15ClN2O/c1-13-9-10-15-6-2-3-8-17(15)18(13)19(23)22-21-12-14-5-4-7-16(20)11-14/h2-12H,1H3,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide has a molecular weight of 322.80 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 110524954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).