N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide

C12H13BrClNO2 — CID 103824726

IUPACN-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H13BrClNO2/c13-10-4-3-8(6-11(10)14)15-12(16)7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyFTCLNISOUHNTGW-UHFFFAOYSA-N
MW318.60 g/mol
LogP3.61
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide

N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide (PubChem CID 103824726) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
PubChem CID103824726
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H13BrClNO2/c13-10-4-3-8(6-11(10)14)15-12(16)7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyFTCLNISOUHNTGW-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 129469734
2-[2-chloro-4-[[2-(oxan-2-yl)acetyl]amino]phenoxy]acetic acid
CID 120688629
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016147
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide
CID 104624706
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
CID 103824509
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide (CID 103824726) is N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is FTCLNISOUHNTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-10-4-3-8(6-11(10)14)15-12(16)7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H,15,16).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide?
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 318.60 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 103824726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).