3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide

C15H20BrFN2O2 — CID 103706839

IUPAC3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
SMILESCC(C)CC(NC(=O)c1ccc(F)c(Br)c1)C(=O)N(C)C
InChIInChI=1S/C15H20BrFN2O2/c1-9(2)7-13(15(21)19(3)4)18-14(20)10-5-6-12(17)11(16)8-10/h5-6,8-9,13H,7H2,1-4H3,(H,18,20)
InChIKeyXKSXGNDGLVGSQN-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.82
Rot. Bonds5

About 3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide

3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide (PubChem CID 103706839) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is 3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
PubChem CID103706839
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
SMILESCC(C)CC(NC(=O)c1ccc(F)c(Br)c1)C(=O)N(C)C
InChIInChI=1S/C15H20BrFN2O2/c1-9(2)7-13(15(21)19(3)4)18-14(20)10-5-6-12(17)11(16)8-10/h5-6,8-9,13H,7H2,1-4H3,(H,18,20)
InChIKeyXKSXGNDGLVGSQN-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide
CID 51950559
4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
CID 43699933
2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 103763940
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 107953084
4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 42961976
4-(aminomethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43699907
(2S)-2-[(3-bromo-4-fluorobenzoyl)amino]butanedioic acid
CID 107949396
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 51891718
3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide
CID 113244838
3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103706997

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide (CID 103706839) is 3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide is CC(C)CC(NC(=O)c1ccc(F)c(Br)c1)C(=O)N(C)C.
What is the InChIKey of 3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide?
The InChIKey is XKSXGNDGLVGSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-9(2)7-13(15(21)19(3)4)18-14(20)10-5-6-12(17)11(16)8-10/h5-6,8-9,13H,7H2,1-4H3,(H,18,20).
What are the key properties of 3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide?
3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide has a molecular weight of 359.24 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 103706839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).