N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide

C16H17BrN2O2 — CID 82859109

IUPACN-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)Nc2cc(Br)cc(OC)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-18-13-6-4-11(5-7-13)16(20)19-14-8-12(17)9-15(10-14)21-2/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeyKWNBBGVZVXHUEV-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.14
Rot. Bonds5

About N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide

N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide (PubChem CID 82859109) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
PubChem CID82859109
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)Nc2cc(Br)cc(OC)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-18-13-6-4-11(5-7-13)16(20)19-14-8-12(17)9-15(10-14)21-2/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeyKWNBBGVZVXHUEV-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 82861112
2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
CID 82859642
3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
CID 82857386
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 82859447
N-(3-bromo-5-methylphenyl)-4-(propylamino)benzamide
CID 107578574
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide (CID 82859109) is N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide is CCNc1ccc(C(=O)Nc2cc(Br)cc(OC)c2)cc1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide?
The InChIKey is KWNBBGVZVXHUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-18-13-6-4-11(5-7-13)16(20)19-14-8-12(17)9-15(10-14)21-2/h4-10,18H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide?
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide has a molecular weight of 349.23 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide is sourced from PubChem (CID 82859109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).