N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide

C18H20BrNO2 — CID 44560512

IUPACN-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(Br)cc1)C(O)c1ccccc1
InChIInChI=1S/C18H20BrNO2/c1-18(2,16(21)14-6-4-3-5-7-14)17(22)20-12-13-8-10-15(19)11-9-13/h3-11,16,21H,12H2,1-2H3,(H,20,22)
InChIKeyWPHMSBQFBIHAMN-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.83
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide

N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide (PubChem CID 44560512) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
PubChem CID44560512
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(Br)cc1)C(O)c1ccccc1
InChIInChI=1S/C18H20BrNO2/c1-18(2,16(21)14-6-4-3-5-7-14)17(22)20-12-13-8-10-15(19)11-9-13/h3-11,16,21H,12H2,1-2H3,(H,20,22)
InChIKeyWPHMSBQFBIHAMN-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide (CID 44560512) is N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide is CC(C)(C(=O)NCc1ccc(Br)cc1)C(O)c1ccccc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide?
The InChIKey is WPHMSBQFBIHAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-18(2,16(21)14-6-4-3-5-7-14)17(22)20-12-13-8-10-15(19)11-9-13/h3-11,16,21H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide?
N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide has a molecular weight of 362.27 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-hydroxy-2,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 44560512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).