2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide

C14H20BrFN2O — CID 43116655

IUPAC2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2O/c1-9(2)6-7-17-14(19)10(3)18-13-5-4-11(15)8-12(13)16/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,19)
InChIKeyCPPPIWVHCZUZML-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.55
Rot. Bonds6

About 2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide

2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide (PubChem CID 43116655) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
PubChem CID43116655
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2O/c1-9(2)6-7-17-14(19)10(3)18-13-5-4-11(15)8-12(13)16/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,19)
InChIKeyCPPPIWVHCZUZML-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide (CID 43116655) is 2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is CPPPIWVHCZUZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-9(2)6-7-17-14(19)10(3)18-13-5-4-11(15)8-12(13)16/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide?
2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 331.23 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43116655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).