2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide

C16H15BrClN3O — CID 71960153

IUPAC2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
SMILESCC(Nc1ccc(Br)cc1)C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClN3O/c1-11(20-15-8-4-13(17)5-9-15)16(22)21-19-10-12-2-6-14(18)7-3-12/h2-11,20H,1H3,(H,21,22)
InChIKeyGKXMIENZMPOTII-UHFFFAOYSA-N
MW380.67 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide

2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide (PubChem CID 71960153) has the molecular formula C16H15BrClN3O and a molecular weight of 380.67 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
PubChem CID71960153
Molecular FormulaC16H15BrClN3O
Molecular Weight380.67 g/mol
Exact Mass379.01
IUPAC Name2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
SMILESCC(Nc1ccc(Br)cc1)C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClN3O/c1-11(20-15-8-4-13(17)5-9-15)16(22)21-19-10-12-2-6-14(18)7-3-12/h2-11,20H,1H3,(H,21,22)
InChIKeyGKXMIENZMPOTII-UHFFFAOYSA-N
XLogP4.05
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 54.05
H-Bond Donors ≤ 52
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-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 5081987
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
(2S)-2-(4-chloroanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 5403140
2-(4-chloroanilino)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2863483
N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide
CID 3089265
(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 136705939
2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135782013
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
N-[1-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 5132764
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136670442
(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 40516210
N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide
CID 6146387

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide (CID 71960153) is 2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide is CC(Nc1ccc(Br)cc1)C(=O)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide?
The InChIKey is GKXMIENZMPOTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O/c1-11(20-15-8-4-13(17)5-9-15)16(22)21-19-10-12-2-6-14(18)7-3-12/h2-11,20H,1H3,(H,21,22).
What are the key properties of 2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide?
2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide has a molecular weight of 380.67 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 71960153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).