N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide

C19H15BrN2O2 — CID 136786921

IUPACN-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2c(O)ccc3cc(Br)ccc23)cc1
InChIInChI=1S/C19H15BrN2O2/c1-12-2-4-13(5-3-12)19(24)22-21-11-17-16-8-7-15(20)10-14(16)6-9-18(17)23/h2-11,23H,1H3,(H,22,24)/b21-11-
InChIKeyMTEJNHSAYRVEHK-NHDPSOOVSA-N
MW383.25 g/mol
LogP4.38
Rot. Bonds3

About N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide

N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide (PubChem CID 136786921) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
PubChem CID136786921
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC NameN-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2c(O)ccc3cc(Br)ccc23)cc1
InChIInChI=1S/C19H15BrN2O2/c1-12-2-4-13(5-3-12)19(24)22-21-11-17-16-8-7-15(20)10-14(16)6-9-18(17)23/h2-11,23H,1H3,(H,22,24)/b21-11-
InChIKeyMTEJNHSAYRVEHK-NHDPSOOVSA-N
XLogP4.38
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136789381
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
5-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
CID 137227559
4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 966653
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
3-chloro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 137122870
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 135604314

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide (CID 136786921) is N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C\c2c(O)ccc3cc(Br)ccc23)cc1.
What is the InChIKey of N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide?
The InChIKey is MTEJNHSAYRVEHK-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c1-12-2-4-13(5-3-12)19(24)22-21-11-17-16-8-7-15(20)10-14(16)6-9-18(17)23/h2-11,23H,1H3,(H,22,24)/b21-11-.
What are the key properties of N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide?
N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide has a molecular weight of 383.25 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 136786921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).