N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide

C16H17BrN2O — CID 104938218

IUPACN-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cc(C)cc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11-7-14(17)9-15(8-11)18-10-13-5-3-4-6-16(13)19-12(2)20/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyKYYMLLCRTBJKOJ-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.33
Rot. Bonds4

About N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide

N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide (PubChem CID 104938218) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
PubChem CID104938218
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cc(C)cc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11-7-14(17)9-15(8-11)18-10-13-5-3-4-6-16(13)19-12(2)20/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyKYYMLLCRTBJKOJ-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline
CID 107582552
2-[(3-bromo-5-methylanilino)methyl]benzoic acid
CID 107584215
methyl 2-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetate
CID 107583241
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
CID 107679126
N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
CID 66385222
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-[(3-ethylanilino)methyl]phenyl]acetamide
CID 66386234
N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
CID 43735923
N-[2-[(2-bromo-5-chloroanilino)methyl]phenyl]acetamide
CID 81264520
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide
CID 75517137

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide (CID 104938218) is N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNc1cc(C)cc(Br)c1.
What is the InChIKey of N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide?
The InChIKey is KYYMLLCRTBJKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-7-14(17)9-15(8-11)18-10-13-5-3-4-6-16(13)19-12(2)20/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide?
N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide has a molecular weight of 333.23 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 104938218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).