2-(4-bromoanilino)-2-pyridin-4-ylpropanamide

C14H14BrN3O — CID 54891362

IUPAC2-(4-bromoanilino)-2-pyridin-4-ylpropanamide
SMILESCC(Nc1ccc(Br)cc1)(C(N)=O)c1ccncc1
InChIInChI=1S/C14H14BrN3O/c1-14(13(16)19,10-6-8-17-9-7-10)18-12-4-2-11(15)3-5-12/h2-9,18H,1H3,(H2,16,19)
InChIKeyFPIGEGWMYVWDNA-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-bromoanilino)-2-pyridin-4-ylpropanamide

2-(4-bromoanilino)-2-pyridin-4-ylpropanamide (PubChem CID 54891362) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-pyridin-4-ylpropanamide
PubChem CID54891362
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-(4-bromoanilino)-2-pyridin-4-ylpropanamide
SMILESCC(Nc1ccc(Br)cc1)(C(N)=O)c1ccncc1
InChIInChI=1S/C14H14BrN3O/c1-14(13(16)19,10-6-8-17-9-7-10)18-12-4-2-11(15)3-5-12/h2-9,18H,1H3,(H2,16,19)
InChIKeyFPIGEGWMYVWDNA-UHFFFAOYSA-N
XLogP2.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
CID 60991718
2-(4-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 60996145
2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide
CID 54891507
2-(4-bromoanilino)-2-(2-bromophenyl)propanamide
CID 60991854
2-(4-bromoanilino)-2-(2,4-dimethylphenyl)propanamide
CID 60991291
2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid
CID 60993841
2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656
2-(cyclopropylamino)-2-pyridin-4-ylpropanamide
CID 60795921
2-(3-bromoanilino)-2-phenylpropanamide
CID 54891412
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809
2-(3-bromoanilino)-2-(4-methylphenyl)propanamide
CID 60991987

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-pyridin-4-ylpropanamide?
The IUPAC name of 2-(4-bromoanilino)-2-pyridin-4-ylpropanamide (CID 54891362) is 2-(4-bromoanilino)-2-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(4-bromoanilino)-2-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(4-bromoanilino)-2-pyridin-4-ylpropanamide is CC(Nc1ccc(Br)cc1)(C(N)=O)c1ccncc1.
What is the InChIKey of 2-(4-bromoanilino)-2-pyridin-4-ylpropanamide?
The InChIKey is FPIGEGWMYVWDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-14(13(16)19,10-6-8-17-9-7-10)18-12-4-2-11(15)3-5-12/h2-9,18H,1H3,(H2,16,19).
What are the key properties of 2-(4-bromoanilino)-2-pyridin-4-ylpropanamide?
2-(4-bromoanilino)-2-pyridin-4-ylpropanamide has a molecular weight of 320.19 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-pyridin-4-ylpropanamide is sourced from PubChem (CID 54891362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).