N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide

C18H13BrN2O — CID 1377406

IUPACN-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
SMILESO=C(NN=Cc1ccc(Br)cc1)c1cccc2ccccc12
InChIInChI=1S/C18H13BrN2O/c19-15-10-8-13(9-11-15)12-20-21-18(22)17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,21,22)
InChIKeyTZAXGDCRJUEXKF-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.37
Rot. Bonds3

About N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide

N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 1377406) has the molecular formula C18H13BrN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID1377406
Molecular FormulaC18H13BrN2O
Molecular Weight353.22 g/mol
Exact Mass352.02
IUPAC NameN-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
SMILESO=C(NN=Cc1ccc(Br)cc1)c1cccc2ccccc12
InChIInChI=1S/C18H13BrN2O/c19-15-10-8-13(9-11-15)12-20-21-18(22)17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,21,22)
InChIKeyTZAXGDCRJUEXKF-UHFFFAOYSA-N
XLogP4.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.37
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-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135426068
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 6180854
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 86809471
[4-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6182259
N-[(5-bromothiophen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 5185325
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 2828053
4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 91972520
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide (CID 1377406) is N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide is O=C(NN=Cc1ccc(Br)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is TZAXGDCRJUEXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O/c19-15-10-8-13(9-11-15)12-20-21-18(22)17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,21,22).
What are the key properties of N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 1377406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).