2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride

C18H22BrClN2O2 — CID 120594284

IUPAC2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride
SMILESCC(C)Oc1cc(Br)cc(NC(=O)C(C)(N)c2ccccc2)c1.Cl
InChIInChI=1S/C18H21BrN2O2.ClH/c1-12(2)23-16-10-14(19)9-15(11-16)21-17(22)18(3,20)13-7-5-4-6-8-13;/h4-12H,20H2,1-3H3,(H,21,22);1H
InChIKeyGYWGXMRKSHXFOC-UHFFFAOYSA-N
MW413.74 g/mol
LogP4.47
Rot. Bonds5

About 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride

2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride (PubChem CID 120594284) has the molecular formula C18H22BrClN2O2 and a molecular weight of 413.74 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride
PubChem CID120594284
Molecular FormulaC18H22BrClN2O2
Molecular Weight413.74 g/mol
Exact Mass412.06
IUPAC Name2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride
SMILESCC(C)Oc1cc(Br)cc(NC(=O)C(C)(N)c2ccccc2)c1.Cl
InChIInChI=1S/C18H21BrN2O2.ClH/c1-12(2)23-16-10-14(19)9-15(11-16)21-17(22)18(3,20)13-7-5-4-6-8-13;/h4-12H,20H2,1-3H3,(H,21,22);1H
InChIKeyGYWGXMRKSHXFOC-UHFFFAOYSA-N
XLogP4.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.74
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120588419
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CID 62488915
2-amino-N-(3,5-difluorophenyl)-2-phenylpropanamide
CID 62487163
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CID 62487859
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3-(3-bromo-5-methoxyanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82859803
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide
CID 119344118
4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
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(2S)-2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
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2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
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CID 62488059

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride (CID 120594284) is 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride is CC(C)Oc1cc(Br)cc(NC(=O)C(C)(N)c2ccccc2)c1.Cl.
What is the InChIKey of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride?
The InChIKey is GYWGXMRKSHXFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2.ClH/c1-12(2)23-16-10-14(19)9-15(11-16)21-17(22)18(3,20)13-7-5-4-6-8-13;/h4-12H,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride?
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride has a molecular weight of 413.74 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120594284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).