2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide

C19H21BrN2O2 — CID 7784387

IUPAC2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
SMILESCC(C)CCOc1ccc(/C=N\NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-14(2)11-12-24-16-9-7-15(8-10-16)13-21-22-19(23)17-5-3-4-6-18(17)20/h3-10,13-14H,11-12H2,1-2H3,(H,22,23)/b21-13-
InChIKeyXILQGRKGIIVEIK-BKUYFWCQSA-N
MW389.29 g/mol
LogP4.64
Rot. Bonds7

About 2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide

2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide (PubChem CID 7784387) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
PubChem CID7784387
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
SMILESCC(C)CCOc1ccc(/C=N\NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-14(2)11-12-24-16-9-7-15(8-10-16)13-21-22-19(23)17-5-3-4-6-18(17)20/h3-10,13-14H,11-12H2,1-2H3,(H,22,23)/b21-13-
InChIKeyXILQGRKGIIVEIK-BKUYFWCQSA-N
XLogP4.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-hydroxy-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6902774
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
2-bromo-N-[1-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3473498
2-bromo-N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245419
4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 2329144
2-bromo-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245239
2-(2-fluorophenoxy)-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]acetamide
CID 7958128
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6087845
2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
CID 7782249
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3415013

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide (CID 7784387) is 2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide is CC(C)CCOc1ccc(/C=N\NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide?
The InChIKey is XILQGRKGIIVEIK-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-14(2)11-12-24-16-9-7-15(8-10-16)13-21-22-19(23)17-5-3-4-6-18(17)20/h3-10,13-14H,11-12H2,1-2H3,(H,22,23)/b21-13-.
What are the key properties of 2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide?
2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide has a molecular weight of 389.29 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 7784387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).