2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride

C19H22BrClN2O — CID 120668782

IUPAC2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NCC2(c3ccccc3Br)CC2)cc1.Cl
InChIInChI=1S/C19H21BrN2O.ClH/c1-13-6-8-14(9-7-13)17(21)18(23)22-12-19(10-11-19)15-4-2-3-5-16(15)20;/h2-9,17H,10-12,21H2,1H3,(H,22,23);1H
InChIKeyYRSCJVLRBSOXQK-UHFFFAOYSA-N
MW409.76 g/mol
LogP4.03
Rot. Bonds5

About 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride

2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120668782) has the molecular formula C19H22BrClN2O and a molecular weight of 409.76 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120668782
Molecular FormulaC19H22BrClN2O
Molecular Weight409.76 g/mol
Exact Mass408.06
IUPAC Name2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NCC2(c3ccccc3Br)CC2)cc1.Cl
InChIInChI=1S/C19H21BrN2O.ClH/c1-13-6-8-14(9-7-13)17(21)18(23)22-12-19(10-11-19)15-4-2-3-5-16(15)20;/h2-9,17H,10-12,21H2,1H3,(H,22,23);1H
InChIKeyYRSCJVLRBSOXQK-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.76
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836
2-amino-N-[(1-methylcyclopropyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668819
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666652
2-amino-N-[(2-methyloxolan-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668420
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120593131
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106312443
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea
CID 111458940
2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106312973
2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide
CID 119325130
2-amino-2-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide;hydrochloride
CID 119333913
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide
CID 119800186

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride (CID 120668782) is 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(C(N)C(=O)NCC2(c3ccccc3Br)CC2)cc1.Cl.
What is the InChIKey of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is YRSCJVLRBSOXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O.ClH/c1-13-6-8-14(9-7-13)17(21)18(23)22-12-19(10-11-19)15-4-2-3-5-16(15)20;/h2-9,17H,10-12,21H2,1H3,(H,22,23);1H.
What are the key properties of 2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 409.76 g/mol, XLogP of 4.03, 5 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-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120668782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).