N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide

C17H16BrF2N3O2 — CID 11269898

IUPACN-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C17H16BrF2N3O2/c1-2-14(17(25)23-15-4-3-11(18)9-21-15)22-16(24)7-10-5-12(19)8-13(20)6-10/h3-6,8-9,14H,2,7H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyXCGJNPYINDUKFD-UHFFFAOYSA-N
MW412.23 g/mol
LogP3.20
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide

N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide (PubChem CID 11269898) has the molecular formula C17H16BrF2N3O2 and a molecular weight of 412.23 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide
PubChem CID11269898
Molecular FormulaC17H16BrF2N3O2
Molecular Weight412.23 g/mol
Exact Mass411.04
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C17H16BrF2N3O2/c1-2-14(17(25)23-15-4-3-11(18)9-21-15)22-16(24)7-10-5-12(19)8-13(20)6-10/h3-6,8-9,14H,2,7H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyXCGJNPYINDUKFD-UHFFFAOYSA-N
XLogP3.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide (CID 11269898) is N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide is CCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide?
The InChIKey is XCGJNPYINDUKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N3O2/c1-2-14(17(25)23-15-4-3-11(18)9-21-15)22-16(24)7-10-5-12(19)8-13(20)6-10/h3-6,8-9,14H,2,7H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide?
N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide has a molecular weight of 412.23 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]butanamide is sourced from PubChem (CID 11269898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).