6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide

C15H20BrN3O — CID 107798147

IUPAC6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C15H20BrN3O/c1-10(4-3-5-11(2)18)15(20)19-14-8-13(16)7-6-12(14)9-17/h6-8,10-11H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyDQEMEHFECJGWAZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.41
Rot. Bonds6

About 6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide

6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide (PubChem CID 107798147) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide
PubChem CID107798147
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C15H20BrN3O/c1-10(4-3-5-11(2)18)15(20)19-14-8-13(16)7-6-12(14)9-17/h6-8,10-11H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyDQEMEHFECJGWAZ-UHFFFAOYSA-N
XLogP3.41
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide
CID 107798264
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-3-methylbutanamide
CID 114002534
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-4-methylpentanamide
CID 107798203
N-(5-bromo-2-cyanophenyl)-2-propylpentanamide
CID 107798334
6-amino-N-(4-cyanophenyl)-2-methylheptanamide
CID 65293297
(2R)-2-[(5-bromo-2-cyanophenyl)carbamoylamino]pentanoic acid
CID 107799853
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
6-amino-N-(3-cyanophenyl)-2-methylheptanamide
CID 65292842
2-(5-bromo-2-cyanoanilino)hexanoic acid
CID 114900891
6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
CID 107625137
(2S)-2-amino-N-(4-bromo-2-cyanophenyl)hexanamide
CID 107146322
N-(5-bromo-2-cyanophenyl)-4-(propan-2-ylamino)butanamide
CID 107798202

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide (CID 107798147) is 6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide is CC(N)CCCC(C)C(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of 6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide?
The InChIKey is DQEMEHFECJGWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-10(4-3-5-11(2)18)15(20)19-14-8-13(16)7-6-12(14)9-17/h6-8,10-11H,3-5,18H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide?
6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide has a molecular weight of 338.25 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide is sourced from PubChem (CID 107798147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).