3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide

C16H16Br2N2O — CID 60781874

IUPAC3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide
SMILESCc1c(NC(C)c2ccc(Br)cc2Br)cccc1C(N)=O
InChIInChI=1S/C16H16Br2N2O/c1-9-12(16(19)21)4-3-5-15(9)20-10(2)13-7-6-11(17)8-14(13)18/h3-8,10,20H,1-2H3,(H2,19,21)
InChIKeyAZRXLNBDVVZQNY-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.79
Rot. Bonds4

About 3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide

3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide (PubChem CID 60781874) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide
PubChem CID60781874
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide
SMILESCc1c(NC(C)c2ccc(Br)cc2Br)cccc1C(N)=O
InChIInChI=1S/C16H16Br2N2O/c1-9-12(16(19)21)4-3-5-15(9)20-10(2)13-7-6-11(17)8-14(13)18/h3-8,10,20H,1-2H3,(H2,19,21)
InChIKeyAZRXLNBDVVZQNY-UHFFFAOYSA-N
XLogP4.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzoic acid
CID 60782030
3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide
CID 107714808
2-methyl-3-(propan-2-ylamino)benzamide
CID 43694179
3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide
CID 104652440
4-[1-(2,4-dibromophenyl)ethylamino]benzamide
CID 60781228
3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
CID 39846088
2-[1-(2,4-dibromophenyl)ethylamino]acetamide
CID 60781147
4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide
CID 125464660
2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide
CID 60782010
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline
CID 60781271

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide?
The IUPAC name of 3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide (CID 60781874) is 3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide?
The canonical SMILES for 3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide is Cc1c(NC(C)c2ccc(Br)cc2Br)cccc1C(N)=O.
What is the InChIKey of 3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide?
The InChIKey is AZRXLNBDVVZQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-9-12(16(19)21)4-3-5-15(9)20-10(2)13-7-6-11(17)8-14(13)18/h3-8,10,20H,1-2H3,(H2,19,21).
What are the key properties of 3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide?
3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide has a molecular weight of 412.13 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzamide is sourced from PubChem (CID 60781874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).