2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide

C15H15BrFN3O — CID 133453986

IUPAC2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESNC(=O)C(CNc1ccc(Br)cn1)Cc1ccc(F)cc1
InChIInChI=1S/C15H15BrFN3O/c16-12-3-6-14(20-9-12)19-8-11(15(18)21)7-10-1-4-13(17)5-2-10/h1-6,9,11H,7-8H2,(H2,18,21)(H,19,20)
InChIKeyFSGDJVNMFRPLSJ-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.74
Rot. Bonds6

About 2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide

2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 133453986) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID133453986
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESNC(=O)C(CNc1ccc(Br)cn1)Cc1ccc(F)cc1
InChIInChI=1S/C15H15BrFN3O/c16-12-3-6-14(20-9-12)19-8-11(15(18)21)7-10-1-4-13(17)5-2-10/h1-6,9,11H,7-8H2,(H2,18,21)(H,19,20)
InChIKeyFSGDJVNMFRPLSJ-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 97120503
2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 133453961
(2S)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95322125
2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 56826029
2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 75442225
1-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867750
(2S)-2-[(4-fluorophenyl)methyl]-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 95317473
(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide
CID 95321688
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562693
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
CID 95136790
(2R)-2-[(4-fluorophenyl)methyl]-3-[(3-methyl-5-nitroimidazol-4-yl)amino]propanamide
CID 95333169

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide (CID 133453986) is 2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide is NC(=O)C(CNc1ccc(Br)cn1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is FSGDJVNMFRPLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c16-12-3-6-14(20-9-12)19-8-11(15(18)21)7-10-1-4-13(17)5-2-10/h1-6,9,11H,7-8H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 352.21 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 133453986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).