2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide

C14H22BrN3O — CID 114894172

IUPAC2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide
SMILESCC(C)CC(C)(CN)Nc1ccc(Br)cc1C(N)=O
InChIInChI=1S/C14H22BrN3O/c1-9(2)7-14(3,8-16)18-12-5-4-10(15)6-11(12)13(17)19/h4-6,9,18H,7-8,16H2,1-3H3,(H2,17,19)
InChIKeyLZDFIFOAEVLGSN-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.72
Rot. Bonds6

About 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide

2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide (PubChem CID 114894172) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide.

Molecular Properties

Compound Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide
PubChem CID114894172
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide
SMILESCC(C)CC(C)(CN)Nc1ccc(Br)cc1C(N)=O
InChIInChI=1S/C14H22BrN3O/c1-9(2)7-14(3,8-16)18-12-5-4-10(15)6-11(12)13(17)19/h4-6,9,18H,7-8,16H2,1-3H3,(H2,17,19)
InChIKeyLZDFIFOAEVLGSN-UHFFFAOYSA-N
XLogP2.72
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide?
The IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide (CID 114894172) is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide.
What is the SMILES notation for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide?
The canonical SMILES for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide is CC(C)CC(C)(CN)Nc1ccc(Br)cc1C(N)=O.
What is the InChIKey of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide?
The InChIKey is LZDFIFOAEVLGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-9(2)7-14(3,8-16)18-12-5-4-10(15)6-11(12)13(17)19/h4-6,9,18H,7-8,16H2,1-3H3,(H2,17,19).
What are the key properties of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide?
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide has a molecular weight of 328.25 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide is sourced from PubChem (CID 114894172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).