4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide

C12H14BrClN2O2 — CID 66263329

IUPAC4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2cc(Br)ccc2Cl)COCC1N
InChIInChI=1S/C12H14BrClN2O2/c1-12(6-18-5-10(12)15)11(17)16-9-4-7(13)2-3-8(9)14/h2-4,10H,5-6,15H2,1H3,(H,16,17)
InChIKeyAKQRYKODPBXFEO-UHFFFAOYSA-N
MW333.61 g/mol
LogP2.40
Rot. Bonds2

About 4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide

4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide (PubChem CID 66263329) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide
PubChem CID66263329
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Name4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2cc(Br)ccc2Cl)COCC1N
InChIInChI=1S/C12H14BrClN2O2/c1-12(6-18-5-10(12)15)11(17)16-9-4-7(13)2-3-8(9)14/h2-4,10H,5-6,15H2,1H3,(H,16,17)
InChIKeyAKQRYKODPBXFEO-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249432
4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
CID 66248652
4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide
CID 66250811
4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
CID 66248237
4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264602
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 107592357
2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765908
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide
CID 116699685
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
(4-amino-3-methyloxolan-3-yl)-(2-chloro-5-fluorophenyl)methanone
CID 105396430
4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66249041
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide (CID 66263329) is 4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide is CC1(C(=O)Nc2cc(Br)ccc2Cl)COCC1N.
What is the InChIKey of 4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide?
The InChIKey is AKQRYKODPBXFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c1-12(6-18-5-10(12)15)11(17)16-9-4-7(13)2-3-8(9)14/h2-4,10H,5-6,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide has a molecular weight of 333.61 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66263329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).