2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide

C16H14BrN3O — CID 82695441

IUPAC2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide
SMILESCC(N)(C(=O)Nc1ccc(Br)cc1C#N)c1ccccc1
InChIInChI=1S/C16H14BrN3O/c1-16(19,12-5-3-2-4-6-12)15(21)20-14-8-7-13(17)9-11(14)10-18/h2-9H,19H2,1H3,(H,20,21)
InChIKeyWDBQTFNZKAPRFR-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.13
Rot. Bonds3

About 2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide

2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide (PubChem CID 82695441) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide
PubChem CID82695441
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide
SMILESCC(N)(C(=O)Nc1ccc(Br)cc1C#N)c1ccccc1
InChIInChI=1S/C16H14BrN3O/c1-16(19,12-5-3-2-4-6-12)15(21)20-14-8-7-13(17)9-11(14)10-18/h2-9H,19H2,1H3,(H,20,21)
InChIKeyWDBQTFNZKAPRFR-UHFFFAOYSA-N
XLogP3.13
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-bromo-2-cyanophenyl)-2-methylpropanamide
CID 82707939
2-amino-N-(2,4-dibromophenyl)-2-phenylpropanamide
CID 62488230
N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
CID 103020238
(4-bromo-2-cyanophenyl)urea
CID 82708837
2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide
CID 62488219
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
2-[[(4-bromo-2-cyanophenyl)carbamoylamino]methyl]-2-methylbutanoic acid
CID 82698311
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
CID 82707700
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
N-(4-bromo-2-cyanophenyl)-2-methylcyclopropane-1-carboxamide
CID 81498745
1-(4-bromo-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 82695331

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide (CID 82695441) is 2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide is CC(N)(C(=O)Nc1ccc(Br)cc1C#N)c1ccccc1.
What is the InChIKey of 2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide?
The InChIKey is WDBQTFNZKAPRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-16(19,12-5-3-2-4-6-12)15(21)20-14-8-7-13(17)9-11(14)10-18/h2-9H,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide?
2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide has a molecular weight of 344.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide is sourced from PubChem (CID 82695441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).