N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide

C17H16BrClN2O2 — CID 110509270

IUPACN-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C17H16BrClN2O2/c1-11(2)23-16-8-7-12(9-14(16)18)10-20-21-17(22)13-5-3-4-6-15(13)19/h3-11H,1-2H3,(H,21,22)/b20-10-
InChIKeyBQDFCRNZUQGNGD-JMIUGGIZSA-N
MW395.68 g/mol
LogP4.65
Rot. Bonds5

About N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide

N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide (PubChem CID 110509270) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide
PubChem CID110509270
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC NameN-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1Br
InChIInChI=1S/C17H16BrClN2O2/c1-11(2)23-16-8-7-12(9-14(16)18)10-20-21-17(22)13-5-3-4-6-15(13)19/h3-11H,1-2H3,(H,21,22)/b20-10-
InChIKeyBQDFCRNZUQGNGD-JMIUGGIZSA-N
XLogP4.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.65
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

2-chloro-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509304
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 5450738
N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126043451
(2S)-2-[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 126015901
N-[1-[2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 3874102
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4675268
N-[1-[2-[(3-bromo-4-butoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 4260654
2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
CID 5397551
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509521
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215777

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide (CID 110509270) is N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide is CC(C)Oc1ccc(/C=N\NC(=O)c2ccccc2Cl)cc1Br.
What is the InChIKey of N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide?
The InChIKey is BQDFCRNZUQGNGD-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-11(2)23-16-8-7-12(9-14(16)18)10-20-21-17(22)13-5-3-4-6-15(13)19/h3-11H,1-2H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide?
N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide has a molecular weight of 395.68 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide is sourced from PubChem (CID 110509270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).