N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide

C17H19BrN2O — CID 43677290

IUPACN-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCc2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O/c1-3-17(21)20-14-9-8-12(2)16(10-14)19-11-13-6-4-5-7-15(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyXFIQTIIXKQZZNW-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.72
Rot. Bonds5

About N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide

N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide (PubChem CID 43677290) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide
PubChem CID43677290
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCc2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O/c1-3-17(21)20-14-9-8-12(2)16(10-14)19-11-13-6-4-5-7-15(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyXFIQTIIXKQZZNW-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-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide
CID 43679084
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
CID 43735923
N-[3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methylphenyl]propanamide
CID 102831933
N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
CID 64579578
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide
CID 115556795
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide
CID 62749463
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 87029088

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide (CID 43677290) is N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCc2ccccc2Br)c1.
What is the InChIKey of N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide?
The InChIKey is XFIQTIIXKQZZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-17(21)20-14-9-8-12(2)16(10-14)19-11-13-6-4-5-7-15(13)18/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide?
N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]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-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide is sourced from PubChem (CID 43677290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).