2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide

C16H17BrN2O — CID 62488915

IUPAC2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide
SMILESCc1cc(NC(=O)C(C)(N)c2ccccc2)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-10-13(8-9-14(11)17)19-15(20)16(2,18)12-6-4-3-5-7-12/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyOPPQEWYLLRADFB-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.57
Rot. Bonds3

About 2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide

2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide (PubChem CID 62488915) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide
PubChem CID62488915
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide
SMILESCc1cc(NC(=O)C(C)(N)c2ccccc2)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-10-13(8-9-14(11)17)19-15(20)16(2,18)12-6-4-3-5-7-12/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyOPPQEWYLLRADFB-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967197
4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 120592023
N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834851
2-amino-N-(4-chloro-3-fluorophenyl)-2-phenylpropanamide
CID 62487359
2-amino-N-(3,5-difluorophenyl)-2-phenylpropanamide
CID 62487163
2-amino-N-(2,4-dibromophenyl)-2-phenylpropanamide
CID 62488230
2-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylpropanamide;hydrochloride
CID 120586675
2-amino-N-(3-hydroxy-4-methoxyphenyl)-2-phenylpropanamide
CID 62488059
2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide
CID 62488562
2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide
CID 107621841
2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide
CID 120588419

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide (CID 62488915) is 2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide is Cc1cc(NC(=O)C(C)(N)c2ccccc2)ccc1Br.
What is the InChIKey of 2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide?
The InChIKey is OPPQEWYLLRADFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-10-13(8-9-14(11)17)19-15(20)16(2,18)12-6-4-3-5-7-12/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide?
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide has a molecular weight of 333.23 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-3-methylphenyl)-2-phenylpropanamide is sourced from PubChem (CID 62488915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).