N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide

C17H19BrN2O — CID 115556795

IUPACN-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2ccc(C)cc2Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-17(21)20-15-8-6-14(7-9-15)19-11-13-5-4-12(2)10-16(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyUDBJDHMFKCOYOC-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.72
Rot. Bonds5

About N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide

N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide (PubChem CID 115556795) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide
PubChem CID115556795
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2ccc(C)cc2Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-17(21)20-15-8-6-14(7-9-15)19-11-13-5-4-12(2)10-16(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyUDBJDHMFKCOYOC-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
CID 115556688
N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677290
N-[4-[(5-methyl-2-pyridinyl)methylamino]phenyl]propanamide
CID 80709466
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
N-[4-[(3,5-dichlorophenyl)methylamino]phenyl]propanamide
CID 60790033
N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide
CID 43679084
2-(azepan-1-yl)-N-[4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 112839494
N-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]phenyl]propanamide
CID 115951328
2-[2-bromo-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5210106
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide?
The IUPAC name of N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide (CID 115556795) is N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NCc2ccc(C)cc2Br)cc1.
What is the InChIKey of N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide?
The InChIKey is UDBJDHMFKCOYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-17(21)20-15-8-6-14(7-9-15)19-11-13-5-4-12(2)10-16(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide?
N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide has a molecular weight of 347.26 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 115556795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).