2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride

C19H24BrClN2O — CID 120590156

IUPAC2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride
SMILESCC(CCc1ccc(Br)cc1)NC(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C19H23BrN2O.ClH/c1-14(8-9-15-10-12-17(20)13-11-15)22-18(23)19(2,21)16-6-4-3-5-7-16;/h3-7,10-14H,8-9,21H2,1-2H3,(H,22,23);1H
InChIKeyIYXIUSUUVNBADF-UHFFFAOYSA-N
MW411.77 g/mol
LogP4.18
Rot. Bonds6

About 2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride

2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride (PubChem CID 120590156) has the molecular formula C19H24BrClN2O and a molecular weight of 411.77 g/mol. Its IUPAC name is 2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride
PubChem CID120590156
Molecular FormulaC19H24BrClN2O
Molecular Weight411.77 g/mol
Exact Mass410.08
IUPAC Name2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride
SMILESCC(CCc1ccc(Br)cc1)NC(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C19H23BrN2O.ClH/c1-14(8-9-15-10-12-17(20)13-11-15)22-18(23)19(2,21)16-6-4-3-5-7-16;/h3-7,10-14H,8-9,21H2,1-2H3,(H,22,23);1H
InChIKeyIYXIUSUUVNBADF-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.77
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
2-amino-N-hexan-2-yl-2-phenylpropanamide
CID 62489354
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
2-amino-2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 120589300
2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide
CID 62489019
2-amino-N-(1-cyclopropylpropan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120592271
2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylpropanamide
CID 120589583
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-(1-methylsulfonylpropan-2-yl)-2-phenylpropanamide
CID 64642432
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120592916
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride (CID 120590156) is 2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride is CC(CCc1ccc(Br)cc1)NC(=O)C(C)(N)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride?
The InChIKey is IYXIUSUUVNBADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O.ClH/c1-14(8-9-15-10-12-17(20)13-11-15)22-18(23)19(2,21)16-6-4-3-5-7-16;/h3-7,10-14H,8-9,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride has a molecular weight of 411.77 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-bromophenyl)butan-2-yl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120590156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).