2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C15H21BrClN3O3 — CID 120788785

IUPAC2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCC(=O)Nc1ccc(Br)cc1)C1CCOCC1
InChIInChI=1S/C15H20BrN3O3.ClH/c16-11-1-3-12(4-2-11)19-13(20)9-18-15(21)14(17)10-5-7-22-8-6-10;/h1-4,10,14H,5-9,17H2,(H,18,21)(H,19,20);1H
InChIKeySWERWLKFFQYUAW-UHFFFAOYSA-N
MW406.71 g/mol
LogP1.68
Rot. Bonds5

About 2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120788785) has the molecular formula C15H21BrClN3O3 and a molecular weight of 406.71 g/mol. Its IUPAC name is 2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120788785
Molecular FormulaC15H21BrClN3O3
Molecular Weight406.71 g/mol
Exact Mass405.05
IUPAC Name2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCC(=O)Nc1ccc(Br)cc1)C1CCOCC1
InChIInChI=1S/C15H20BrN3O3.ClH/c16-11-1-3-12(4-2-11)19-13(20)9-18-15(21)14(17)10-5-7-22-8-6-10;/h1-4,10,14H,5-9,17H2,(H,18,21)(H,19,20);1H
InChIKeySWERWLKFFQYUAW-UHFFFAOYSA-N
XLogP1.68
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.71
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-bromophenyl)propanamide
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N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
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2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
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4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
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CID 120789553
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
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2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120788785) is 2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCC(=O)Nc1ccc(Br)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is SWERWLKFFQYUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3.ClH/c16-11-1-3-12(4-2-11)19-13(20)9-18-15(21)14(17)10-5-7-22-8-6-10;/h1-4,10,14H,5-9,17H2,(H,18,21)(H,19,20);1H.
What are the key properties of 2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 406.71 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120788785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).