2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide

C19H21BrN2O — CID 3426300

IUPAC2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(C=NNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrN2O/c1-19(2,3)16-8-4-15(5-9-16)13-21-22-18(23)12-14-6-10-17(20)11-7-14/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyWNMUQRAHQSNMND-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.44
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide

2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide (PubChem CID 3426300) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide
PubChem CID3426300
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(C=NNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrN2O/c1-19(2,3)16-8-4-15(5-9-16)13-21-22-18(23)12-14-6-10-17(20)11-7-14/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyWNMUQRAHQSNMND-UHFFFAOYSA-N
XLogP4.44
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368486
2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 19061362
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061232
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 126152756
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
2-(4-tert-butylphenyl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137057622
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 6368519
N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 2356638

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide (CID 3426300) is 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide is CC(C)(C)c1ccc(C=NNC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide?
The InChIKey is WNMUQRAHQSNMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-19(2,3)16-8-4-15(5-9-16)13-21-22-18(23)12-14-6-10-17(20)11-7-14/h4-11,13H,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide has a molecular weight of 373.29 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3426300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).