N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide

C15H15BrN2O — CID 102820562

IUPACN-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1cc(Br)ccn1)c1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-15(2,11-6-4-3-5-7-11)14(19)18-13-10-12(16)8-9-17-13/h3-10H,1-2H3,(H,17,18,19)
InChIKeyQAWINFPMUDVNIM-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.76
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide

N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide (PubChem CID 102820562) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide
PubChem CID102820562
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1cc(Br)ccn1)c1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-15(2,11-6-4-3-5-7-11)14(19)18-13-10-12(16)8-9-17-13/h3-10H,1-2H3,(H,17,18,19)
InChIKeyQAWINFPMUDVNIM-UHFFFAOYSA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
CID 102820533
N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-2-phenylpropanamide
CID 103816430
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
N-(6-chloropyrazin-2-yl)-2-methyl-2-phenylpropanamide
CID 104820021
1-[(4-bromo-2-pyridinyl)amino]-3-phenylurea
CID 170994303
1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
CID 108866585
2-[3-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231188
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide
CID 130631426
1-(4-bromo-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 102820650
1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887175

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide (CID 102820562) is N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide is CC(C)(C(=O)Nc1cc(Br)ccn1)c1ccccc1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide?
The InChIKey is QAWINFPMUDVNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-15(2,11-6-4-3-5-7-11)14(19)18-13-10-12(16)8-9-17-13/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide?
N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide has a molecular weight of 319.20 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 102820562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).