2-amino-5-bromo-N-ethyl-3-methylbenzamide

C10H13BrN2O — CID 169100332

IUPAC2-amino-5-bromo-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1cc(Br)cc(C)c1N
InChIInChI=1S/C10H13BrN2O/c1-3-13-10(14)8-5-7(11)4-6(2)9(8)12/h4-5H,3,12H2,1-2H3,(H,13,14)
InChIKeyMHMYUTVHIMVXMQ-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.09
Rot. Bonds2

About 2-amino-5-bromo-N-ethyl-3-methylbenzamide

2-amino-5-bromo-N-ethyl-3-methylbenzamide (PubChem CID 169100332) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-amino-5-bromo-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-ethyl-3-methylbenzamide
PubChem CID169100332
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-amino-5-bromo-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1cc(Br)cc(C)c1N
InChIInChI=1S/C10H13BrN2O/c1-3-13-10(14)8-5-7(11)4-6(2)9(8)12/h4-5H,3,12H2,1-2H3,(H,13,14)
InChIKeyMHMYUTVHIMVXMQ-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.09
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

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CID 119013862
3-amino-5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 107872241
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
4-bromo-2-ethyl-6-methylaniline
CID 960761
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
5-bromo-N-ethyl-2-methylfuran-3-carboxamide
CID 130987082
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
2-amino-4-bromo-N-ethyl-5-fluorobenzamide
CID 130515983
3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 107872306
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 107872526

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-ethyl-3-methylbenzamide?
The IUPAC name of 2-amino-5-bromo-N-ethyl-3-methylbenzamide (CID 169100332) is 2-amino-5-bromo-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 2-amino-5-bromo-N-ethyl-3-methylbenzamide?
The canonical SMILES for 2-amino-5-bromo-N-ethyl-3-methylbenzamide is CCNC(=O)c1cc(Br)cc(C)c1N.
What is the InChIKey of 2-amino-5-bromo-N-ethyl-3-methylbenzamide?
The InChIKey is MHMYUTVHIMVXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-3-13-10(14)8-5-7(11)4-6(2)9(8)12/h4-5H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-5-bromo-N-ethyl-3-methylbenzamide?
2-amino-5-bromo-N-ethyl-3-methylbenzamide has a molecular weight of 257.13 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 169100332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).