N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide

C13H18BrFN2O — CID 103807055

IUPACN-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H18BrFN2O/c1-8(2)5-10(7-16)17-13(18)9-3-4-12(15)11(14)6-9/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18)
InChIKeySMESKSUIJDMDDJ-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.69
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide

N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide (PubChem CID 103807055) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
PubChem CID103807055
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H18BrFN2O/c1-8(2)5-10(7-16)17-13(18)9-3-4-12(15)11(14)6-9/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18)
InChIKeySMESKSUIJDMDDJ-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
CID 103706839
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
CID 65190911
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 107953084
methyl (2S)-2-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbutanoate
CID 113246333

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide (CID 103807055) is N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide is CC(C)CC(CN)NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide?
The InChIKey is SMESKSUIJDMDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-8(2)5-10(7-16)17-13(18)9-3-4-12(15)11(14)6-9/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide?
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide has a molecular weight of 317.20 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide is sourced from PubChem (CID 103807055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).