N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide

C18H21BrN2O3 — CID 119527394

IUPACN-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCC(N)c2ccccc2)cc1OC
InChIInChI=1S/C18H21BrN2O3/c1-3-24-17-14(19)9-13(10-16(17)23-2)18(22)21-11-15(20)12-7-5-4-6-8-12/h4-10,15H,3,11,20H2,1-2H3,(H,21,22)
InChIKeyMMYHZUQYGBREAY-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.29
Rot. Bonds7

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

N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide (PubChem CID 119527394) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
PubChem CID119527394
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC NameN-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCC(N)c2ccccc2)cc1OC
InChIInChI=1S/C18H21BrN2O3/c1-3-24-17-14(19)9-13(10-16(17)23-2)18(22)21-11-15(20)12-7-5-4-6-8-12/h4-10,15H,3,11,20H2,1-2H3,(H,21,22)
InChIKeyMMYHZUQYGBREAY-UHFFFAOYSA-N
XLogP3.29
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
CID 119527990
4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119527646
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119625749
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
N-(2-amino-2-ethylbutyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119639659
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 55660338
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide
CID 119528578

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide (CID 119527394) is N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)NCC(N)c2ccccc2)cc1OC.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide?
The InChIKey is MMYHZUQYGBREAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-3-24-17-14(19)9-13(10-16(17)23-2)18(22)21-11-15(20)12-7-5-4-6-8-12/h4-10,15H,3,11,20H2,1-2H3,(H,21,22).
What are the key properties of N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide?
N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide has a molecular weight of 393.28 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 119527394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).