N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide

C16H17BrN2O — CID 43735923

IUPACN-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccccc2Br)ccc1C
InChIInChI=1S/C16H17BrN2O/c1-11-7-8-14(9-16(11)19-12(2)20)18-10-13-5-3-4-6-15(13)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyMOUGJJKRFMYUJU-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.33
Rot. Bonds4

About N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide

N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide (PubChem CID 43735923) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
PubChem CID43735923
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccccc2Br)ccc1C
InChIInChI=1S/C16H17BrN2O/c1-11-7-8-14(9-16(11)19-12(2)20)18-10-13-5-3-4-6-15(13)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyMOUGJJKRFMYUJU-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

N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
CID 60980390
N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677290
4-bromo-N-[(2-bromophenyl)methyl]-3-methylaniline
CID 28537521
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
N-[(2-bromophenyl)methyl]-4-methyl-3-nitroaniline
CID 43425307
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
CID 43730286
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
CID 104938218
N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
CID 115556688
2-amino-5-[(2-bromophenyl)methylamino]benzoic acid
CID 61413975

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide (CID 43735923) is N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide is CC(=O)Nc1cc(NCc2ccccc2Br)ccc1C.
What is the InChIKey of N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide?
The InChIKey is MOUGJJKRFMYUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-7-8-14(9-16(11)19-12(2)20)18-10-13-5-3-4-6-15(13)17/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide?
N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]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-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 43735923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).