N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide

C17H19BrN2O — CID 43460393

IUPACN-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1N)C(=O)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-12(2)20(11-13-7-3-6-10-16(13)19)17(21)14-8-4-5-9-15(14)18/h3-10,12H,11,19H2,1-2H3
InChIKeyUZTDCRNAWMCGSN-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.08
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide

N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide (PubChem CID 43460393) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
PubChem CID43460393
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1N)C(=O)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-12(2)20(11-13-7-3-6-10-16(13)19)17(21)14-8-4-5-9-15(14)18/h3-10,12H,11,19H2,1-2H3
InChIKeyUZTDCRNAWMCGSN-UHFFFAOYSA-N
XLogP4.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
CID 96531857
N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81116677
N-[(2-aminophenyl)methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 107970941
N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
CID 63833559
3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide
CID 113366951
2-[[[2-[[[2-[[[2-[[[2-[[[2-[[benzoyl(propan-2-yl)amino]methyl]benzoyl]-propan-2-ylamino]methyl]benzoyl]-propan-2-ylamino]methyl]benzoyl]-propan-2-ylamino]methyl]benzoyl]-propan-2-ylamino]methyl]benzoyl]-propan-2-ylamino]methyl]benzoic acid
CID 71746899
1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700033
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide (CID 43460393) is N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide is CC(C)N(Cc1ccccc1N)C(=O)c1ccccc1Br.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide?
The InChIKey is UZTDCRNAWMCGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12(2)20(11-13-7-3-6-10-16(13)19)17(21)14-8-4-5-9-15(14)18/h3-10,12H,11,19H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide?
N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide has a molecular weight of 347.26 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide is sourced from PubChem (CID 43460393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).