N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide

C17H19BrN2O — CID 66473184

IUPACN-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C17H19BrN2O/c1-3-17(21)20-15-6-4-5-14(10-15)19-11-13-7-8-16(18)12(2)9-13/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyPGCBOTZKNJQCIY-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.72
Rot. Bonds5

About N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide

N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide (PubChem CID 66473184) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide
PubChem CID66473184
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C17H19BrN2O/c1-3-17(21)20-15-6-4-5-14(10-15)19-11-13-7-8-16(18)12(2)9-13/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyPGCBOTZKNJQCIY-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-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
N-[(4-bromo-3-methylphenyl)methyl]aniline
CID 66472770
N-[3-[(3-methoxyphenyl)methylamino]phenyl]propanamide
CID 28661894
N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
CID 60980258
methyl N-[3-[(3-bromo-4-methylphenyl)methylamino]phenyl]carbamate
CID 115876107
N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
CID 46451248
1-N-[(4-bromo-3-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376211
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43713051
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide?
The IUPAC name of N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide (CID 66473184) is N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NCc2ccc(Br)c(C)c2)c1.
What is the InChIKey of N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide?
The InChIKey is PGCBOTZKNJQCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-17(21)20-15-6-4-5-14(10-15)19-11-13-7-8-16(18)12(2)9-13/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide?
N-[3-[(4-bromo-3-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-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 66473184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).