N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide

C16H17BrN2O2 — CID 43550231

IUPACN-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
SMILESCCc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1N
InChIInChI=1S/C16H17BrN2O2/c1-3-10-4-5-11(8-15(10)18)19-16(20)13-9-12(21-2)6-7-14(13)17/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyYGXUVPQAASKPQE-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.85
Rot. Bonds4

About N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide

N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide (PubChem CID 43550231) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
PubChem CID43550231
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
SMILESCCc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1N
InChIInChI=1S/C16H17BrN2O2/c1-3-10-4-5-11(8-15(10)18)19-16(20)13-9-12(21-2)6-7-14(13)17/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyYGXUVPQAASKPQE-UHFFFAOYSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
CID 79768277
N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide
CID 79768120
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide
CID 60538091
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
CID 33309581
4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide
CID 55673108
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide (CID 43550231) is N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide is CCc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide?
The InChIKey is YGXUVPQAASKPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-10-4-5-11(8-15(10)18)19-16(20)13-9-12(21-2)6-7-14(13)17/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide?
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide is sourced from PubChem (CID 43550231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).