2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C24H25BrN2O3 — CID 41255746

IUPAC2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc2cc(CNC(=O)[C@H](NC(=O)c3ccccc3Br)C(C)C)ccc2c1
InChIInChI=1S/C24H25BrN2O3/c1-15(2)22(27-23(28)20-6-4-5-7-21(20)25)24(29)26-14-16-8-9-18-13-19(30-3)11-10-17(18)12-16/h4-13,15,22H,14H2,1-3H3,(H,26,29)(H,27,28)/t22-/m1/s1
InChIKeyYZOPVZLBQHFXNO-JOCHJYFZSA-N
MW469.38 g/mol
LogP4.68
Rot. Bonds7

About 2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 41255746) has the molecular formula C24H25BrN2O3 and a molecular weight of 469.38 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID41255746
Molecular FormulaC24H25BrN2O3
Molecular Weight469.38 g/mol
Exact Mass468.10
IUPAC Name2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc2cc(CNC(=O)[C@H](NC(=O)c3ccccc3Br)C(C)C)ccc2c1
InChIInChI=1S/C24H25BrN2O3/c1-15(2)22(27-23(28)20-6-4-5-7-21(20)25)24(29)26-14-16-8-9-18-13-19(30-3)11-10-17(18)12-16/h4-13,15,22H,14H2,1-3H3,(H,26,29)(H,27,28)/t22-/m1/s1
InChIKeyYZOPVZLBQHFXNO-JOCHJYFZSA-N
XLogP4.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide
CID 17391425
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CID 26007101
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
4-bromo-N-[(2S)-1-[(6-methoxynaphthalen-2-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 41286103
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 8848727
(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 9495719
2-methyl-N-[3-methyl-1-[(3-methylphenyl)methylamino]-1-oxobutan-2-yl]benzamide
CID 134003542
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 41255746) is 2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccc2cc(CNC(=O)[C@H](NC(=O)c3ccccc3Br)C(C)C)ccc2c1.
What is the InChIKey of 2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is YZOPVZLBQHFXNO-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25BrN2O3/c1-15(2)22(27-23(28)20-6-4-5-7-21(20)25)24(29)26-14-16-8-9-18-13-19(30-3)11-10-17(18)12-16/h4-13,15,22H,14H2,1-3H3,(H,26,29)(H,27,28)/t22-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 469.38 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-1-[(6-methoxynaphthalen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 41255746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).