N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide

C17H16BrClN2O2 — CID 5261629

IUPACN-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(Br)cc1
InChIInChI=1S/C17H16BrClN2O2/c1-17(2,23-15-9-7-14(19)8-10-15)16(22)21-20-11-12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H,21,22)
InChIKeySCHAZHPOLADFDO-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.41
Rot. Bonds5

About N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide

N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 5261629) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID5261629
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC NameN-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(Br)cc1
InChIInChI=1S/C17H16BrClN2O2/c1-17(2,23-15-9-7-14(19)8-10-15)16(22)21-20-11-12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H,21,22)
InChIKeySCHAZHPOLADFDO-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
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-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
CID 154646053
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 5261637
2-(4-chlorophenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropanamide
CID 5412429
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]propanamide
CID 154645971
2-(4-chloro-3-methylphenoxy)-2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 4510944
N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide
CID 6146387
2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 71960153
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 45054335
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)-2-methylpropanamide
CID 17098530
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide (CID 5261629) is N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is SCHAZHPOLADFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-17(2,23-15-9-7-14(19)8-10-15)16(22)21-20-11-12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide?
N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 395.68 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 5261629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).