N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide

C14H18BrClN2O2 — CID 119575859

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
SMILESCC(CN)(NC(=O)COc1ccc(Br)cc1Cl)C1CC1
InChIInChI=1S/C14H18BrClN2O2/c1-14(8-17,9-2-3-9)18-13(19)7-20-12-5-4-10(15)6-11(12)16/h4-6,9H,2-3,7-8,17H2,1H3,(H,18,19)
InChIKeyDWZXANNPHNVKTJ-UHFFFAOYSA-N
MW361.67 g/mol
LogP2.72
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide (PubChem CID 119575859) has the molecular formula C14H18BrClN2O2 and a molecular weight of 361.67 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
PubChem CID119575859
Molecular FormulaC14H18BrClN2O2
Molecular Weight361.67 g/mol
Exact Mass360.02
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
SMILESCC(CN)(NC(=O)COc1ccc(Br)cc1Cl)C1CC1
InChIInChI=1S/C14H18BrClN2O2/c1-14(8-17,9-2-3-9)18-13(19)7-20-12-5-4-10(15)6-11(12)16/h4-6,9H,2-3,7-8,17H2,1H3,(H,18,19)
InChIKeyDWZXANNPHNVKTJ-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.67
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119574900
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119574676
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119572727
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
CID 119573205
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-fluorophenoxy)acetamide;hydrochloride
CID 119572196
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119573907
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea
CID 4981145
N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 119523767
cis-(1S,3R)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675929
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide (CID 119575859) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide is CC(CN)(NC(=O)COc1ccc(Br)cc1Cl)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide?
The InChIKey is DWZXANNPHNVKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O2/c1-14(8-17,9-2-3-9)18-13(19)7-20-12-5-4-10(15)6-11(12)16/h4-6,9H,2-3,7-8,17H2,1H3,(H,18,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide has a molecular weight of 361.67 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide is sourced from PubChem (CID 119575859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).