N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride

C19H22BrClN2O2 — CID 119613614

IUPACN-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
SMILESCl.NCC(NC(=O)C(Oc1ccc(Br)cc1)c1ccccc1)C1CC1
InChIInChI=1S/C19H21BrN2O2.ClH/c20-15-8-10-16(11-9-15)24-18(14-4-2-1-3-5-14)19(23)22-17(12-21)13-6-7-13;/h1-5,8-11,13,17-18H,6-7,12,21H2,(H,22,23);1H
InChIKeyCARNGSKWUATNQE-UHFFFAOYSA-N
MW425.75 g/mol
LogP3.84
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride (PubChem CID 119613614) has the molecular formula C19H22BrClN2O2 and a molecular weight of 425.75 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
PubChem CID119613614
Molecular FormulaC19H22BrClN2O2
Molecular Weight425.75 g/mol
Exact Mass424.06
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
SMILESCl.NCC(NC(=O)C(Oc1ccc(Br)cc1)c1ccccc1)C1CC1
InChIInChI=1S/C19H21BrN2O2.ClH/c20-15-8-10-16(11-9-15)24-18(14-4-2-1-3-5-14)19(23)22-17(12-21)13-6-7-13;/h1-5,8-11,13,17-18H,6-7,12,21H2,(H,22,23);1H
InChIKeyCARNGSKWUATNQE-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.75
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(2-ethylphenoxy)-2-phenylacetamide;hydrochloride
CID 119616467
N-(2-amino-1-cyclopropylethyl)-2,2-diphenylacetamide;hydrochloride
CID 119616015
N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
CID 119997803
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-phenylpentanamide
CID 65188547
N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119615423
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
CID 120830330
N-(2-amino-1-cyclopropylethyl)-3-(4-bromophenyl)sulfanylpropanamide
CID 119617931
N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119616000
N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride
CID 119617229
N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide
CID 119613985
(2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
CID 94363922
N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119616864

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride (CID 119613614) is N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride is Cl.NCC(NC(=O)C(Oc1ccc(Br)cc1)c1ccccc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride?
The InChIKey is CARNGSKWUATNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2.ClH/c20-15-8-10-16(11-9-15)24-18(14-4-2-1-3-5-14)19(23)22-17(12-21)13-6-7-13;/h1-5,8-11,13,17-18H,6-7,12,21H2,(H,22,23);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride has a molecular weight of 425.75 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119613614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).