N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide

C17H19BrN2O — CID 43230530

IUPACN-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O/c1-12(2)17(21)20-16-9-7-15(8-10-16)19-11-13-3-5-14(18)6-4-13/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyWVYAFVWUQWVGEU-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.66
Rot. Bonds5

About N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide

N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide (PubChem CID 43230530) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
PubChem CID43230530
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O/c1-12(2)17(21)20-16-9-7-15(8-10-16)19-11-13-3-5-14(18)6-4-13/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyWVYAFVWUQWVGEU-UHFFFAOYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-bromoanilino)methyl]phenyl]propanoic acid
CID 103234443
ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
CID 43703857
2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide
CID 66408507
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 43683747
N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
CID 51331356
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
2-methyl-3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropanoic acid
CID 114897148
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
5-[(4-bromophenoxy)methyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55776259

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide (CID 43230530) is N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide?
The InChIKey is WVYAFVWUQWVGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12(2)17(21)20-16-9-7-15(8-10-16)19-11-13-3-5-14(18)6-4-13/h3-10,12,19H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide?
N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide has a molecular weight of 347.26 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 43230530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).