N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride

C15H23BrClFN2O — CID 119659943

IUPACN-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)Cc1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C15H22BrFN2O.ClH/c1-10(2)14(18)6-7-19(3)15(20)9-11-4-5-13(17)12(16)8-11;/h4-5,8,10,14H,6-7,9,18H2,1-3H3;1H
InChIKeyNIPMYGYUIDHCNM-UHFFFAOYSA-N
MW381.72 g/mol
LogP3.38
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride

N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride (PubChem CID 119659943) has the molecular formula C15H23BrClFN2O and a molecular weight of 381.72 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
PubChem CID119659943
Molecular FormulaC15H23BrClFN2O
Molecular Weight381.72 g/mol
Exact Mass380.07
IUPAC NameN-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)Cc1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C15H22BrFN2O.ClH/c1-10(2)14(18)6-7-19(3)15(20)9-11-4-5-13(17)12(16)8-11;/h4-5,8,10,14H,6-7,9,18H2,1-3H3;1H
InChIKeyNIPMYGYUIDHCNM-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.72
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407
4-amino-1-(3-bromo-4-fluorophenyl)-5-methylhexan-2-one
CID 116606300
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377
N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119660207
3-amino-1-(3-bromo-4-fluorophenyl)butan-2-one
CID 116551731
2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide
CID 55885893
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402
N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119658573
N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119660409
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride (CID 119659943) is N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)Cc1ccc(F)c(Br)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride?
The InChIKey is NIPMYGYUIDHCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O.ClH/c1-10(2)14(18)6-7-19(3)15(20)9-11-4-5-13(17)12(16)8-11;/h4-5,8,10,14H,6-7,9,18H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride?
N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride has a molecular weight of 381.72 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119659943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).