4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide

C14H22BrN3O — CID 82809011

IUPAC4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide
SMILESCC(C)C(N)CCN(C)c1ccc(C(N)=O)cc1Br
InChIInChI=1S/C14H22BrN3O/c1-9(2)12(16)6-7-18(3)13-5-4-10(14(17)19)8-11(13)15/h4-5,8-9,12H,6-7,16H2,1-3H3,(H2,17,19)
InChIKeyUIMSVQCJSDMKIE-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.36
Rot. Bonds6

About 4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide

4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide (PubChem CID 82809011) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide.

Molecular Properties

Compound Name4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide
PubChem CID82809011
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide
SMILESCC(C)C(N)CCN(C)c1ccc(C(N)=O)cc1Br
InChIInChI=1S/C14H22BrN3O/c1-9(2)12(16)6-7-18(3)13-5-4-10(14(17)19)8-11(13)15/h4-5,8-9,12H,6-7,16H2,1-3H3,(H2,17,19)
InChIKeyUIMSVQCJSDMKIE-UHFFFAOYSA-N
XLogP2.36
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-4-methylpentyl)-methylamino]-3-chlorobenzamide
CID 115318126
2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide
CID 115318269
4-[(3-amino-4-methylpentyl)-methylamino]-2-bromobenzamide
CID 107280889
4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-bromobenzamide
CID 82810214
4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide
CID 102669347
2-[(3-amino-4-methylpentyl)-methylamino]-5-nitrobenzamide
CID 115318061
2-[2-bromo-4-carbamoyl-N-(2-methylpropyl)anilino]acetic acid
CID 82797152
2-[2-bromo-4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]acetic acid
CID 107425014
3-(2-bromo-4-carbamoyl-N-ethylanilino)-2-methylpropanoic acid
CID 82798469
methyl 3-(2-bromo-4-carbamothioyl-N-methylanilino)propanoate
CID 82804934
4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide
CID 82808751
2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid
CID 82798099

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide?
The IUPAC name of 4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide (CID 82809011) is 4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide.
What is the SMILES notation for 4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide?
The canonical SMILES for 4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide is CC(C)C(N)CCN(C)c1ccc(C(N)=O)cc1Br.
What is the InChIKey of 4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide?
The InChIKey is UIMSVQCJSDMKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-9(2)12(16)6-7-18(3)13-5-4-10(14(17)19)8-11(13)15/h4-5,8-9,12H,6-7,16H2,1-3H3,(H2,17,19).
What are the key properties of 4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide?
4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide has a molecular weight of 328.25 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methylpentyl)-methylamino]-3-bromobenzamide is sourced from PubChem (CID 82809011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).