4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide

C16H17BrN2O — CID 79749765

IUPAC4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11-4-2-3-5-12(11)8-9-19-16(20)13-6-7-15(18)14(17)10-13/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyBCHYVVSEAZAZQK-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.31
Rot. Bonds4

About 4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide

4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide (PubChem CID 79749765) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide
PubChem CID79749765
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11-4-2-3-5-12(11)8-9-19-16(20)13-6-7-15(18)14(17)10-13/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyBCHYVVSEAZAZQK-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999158
3-carbamothioyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79754667
3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 104627455
2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79756137
3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 107952730
4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 61248489
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356
3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide
CID 81459566
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide (CID 79749765) is 4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1CCNC(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide?
The InChIKey is BCHYVVSEAZAZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-4-2-3-5-12(11)8-9-19-16(20)13-6-7-15(18)14(17)10-13/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide?
4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide has a molecular weight of 333.23 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 79749765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).