2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide

C16H17BrN2O — CID 105401783

IUPAC2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(C(NCc2ccccc2)C(N)=O)cc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-7-8-13(9-14(11)17)15(16(18)20)19-10-12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H2,18,20)
InChIKeyOJURHAQKJFCIBE-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.07
Rot. Bonds5

About 2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide

2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide (PubChem CID 105401783) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide
PubChem CID105401783
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(C(NCc2ccccc2)C(N)=O)cc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-7-8-13(9-14(11)17)15(16(18)20)19-10-12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H2,18,20)
InChIKeyOJURHAQKJFCIBE-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide
CID 81436090
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 105401809
2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658
2-(benzylamino)-2-(2-bromophenyl)acetamide
CID 54889282
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447
2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide
CID 102840225
2-(benzylamino)-2-(3-chloro-4-methylphenyl)acetic acid
CID 106817664
2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide
CID 105401788
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 66480373
2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 113268835
2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 105401888

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide (CID 105401783) is 2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide is Cc1ccc(C(NCc2ccccc2)C(N)=O)cc1Br.
What is the InChIKey of 2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide?
The InChIKey is OJURHAQKJFCIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-7-8-13(9-14(11)17)15(16(18)20)19-10-12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H2,18,20).
What are the key properties of 2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide?
2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide has a molecular weight of 333.23 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 105401783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).