2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide

C16H23BrN2O — CID 119800186

IUPAC2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC1(c2ccccc2Br)CC1
InChIInChI=1S/C16H23BrN2O/c1-3-8-15(2,18)14(20)19-11-16(9-10-16)12-6-4-5-7-13(12)17/h4-7H,3,8-11,18H2,1-2H3,(H,19,20)
InChIKeyHXYIRQWUMPGGJX-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.11
Rot. Bonds6

About 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide

2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide (PubChem CID 119800186) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide
PubChem CID119800186
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC1(c2ccccc2Br)CC1
InChIInChI=1S/C16H23BrN2O/c1-3-8-15(2,18)14(20)19-11-16(9-10-16)12-6-4-5-7-13(12)17/h4-7H,3,8-11,18H2,1-2H3,(H,19,20)
InChIKeyHXYIRQWUMPGGJX-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119699195
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120593131
2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide
CID 119772788
2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide
CID 119769979
2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119782926
3-[[[[1-(2-bromophenyl)cyclopropyl]methylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111650050
2-amino-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 110480076
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea
CID 111458940
2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylpentanamide;hydrochloride
CID 119749451
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668782
(2S,4S)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120635447
3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119800146

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide (CID 119800186) is 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCC1(c2ccccc2Br)CC1.
What is the InChIKey of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide?
The InChIKey is HXYIRQWUMPGGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-8-15(2,18)14(20)19-11-16(9-10-16)12-6-4-5-7-13(12)17/h4-7H,3,8-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide?
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide has a molecular weight of 339.28 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide is sourced from PubChem (CID 119800186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).