2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide

C18H19BrClN3O — CID 7228655

IUPAC2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
SMILESC/C(CCc1ccccc1)=N\NC(=O)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C18H19BrClN3O/c1-13(7-8-14-5-3-2-4-6-14)22-23-18(24)12-21-17-10-9-15(20)11-16(17)19/h2-6,9-11,21H,7-8,12H2,1H3,(H,23,24)/b22-13+
InChIKeySPKMDVPMUQQQPJ-LPYMAVHISA-N
MW408.73 g/mol
LogP4.64
Rot. Bonds7

About 2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide

2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide (PubChem CID 7228655) has the molecular formula C18H19BrClN3O and a molecular weight of 408.73 g/mol. Its IUPAC name is 2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
PubChem CID7228655
Molecular FormulaC18H19BrClN3O
Molecular Weight408.73 g/mol
Exact Mass407.04
IUPAC Name2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
SMILESC/C(CCc1ccccc1)=N\NC(=O)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C18H19BrClN3O/c1-13(7-8-14-5-3-2-4-6-14)22-23-18(24)12-21-17-10-9-15(20)11-16(17)19/h2-6,9-11,21H,7-8,12H2,1H3,(H,23,24)/b22-13+
InChIKeySPKMDVPMUQQQPJ-LPYMAVHISA-N
XLogP4.64
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 54.64
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-(2,4-dibromoanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 46502237
2-(2-bromo-4-chloroanilino)-N-[(E)-1-phenylheptylideneamino]acetamide
CID 92652579
2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 4037059
2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide
CID 2843077
[(E)-4-(3-chlorophenyl)butan-2-ylideneamino]urea
CID 5380292
2-(2-bromo-4-chloroanilino)-N-(3-bromophenyl)acetamide
CID 81271166
N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 4306976
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
N-(3,4-dichlorophenyl)-N'-(4-phenylbutan-2-ylideneamino)oxamide
CID 4007590
2-(2-bromo-4-chloroanilino)-N-(3-fluorophenyl)acetamide
CID 81271498

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide (CID 7228655) is 2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide is C/C(CCc1ccccc1)=N\NC(=O)CNc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide?
The InChIKey is SPKMDVPMUQQQPJ-LPYMAVHISA-N. The full InChI is InChI=1S/C18H19BrClN3O/c1-13(7-8-14-5-3-2-4-6-14)22-23-18(24)12-21-17-10-9-15(20)11-16(17)19/h2-6,9-11,21H,7-8,12H2,1H3,(H,23,24)/b22-13+.
What are the key properties of 2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide?
2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide has a molecular weight of 408.73 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide is sourced from PubChem (CID 7228655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).