N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide

C14H18BrNO2 — CID 81037060

IUPACN-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1(C)CCCO1
InChIInChI=1S/C14H18BrNO2/c1-3-10-9-11(15)5-6-12(10)16-13(17)14(2)7-4-8-18-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyTZHNURLYPXFNFT-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.52
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide

N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide (PubChem CID 81037060) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide
PubChem CID81037060
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1(C)CCCO1
InChIInChI=1S/C14H18BrNO2/c1-3-10-9-11(15)5-6-12(10)16-13(17)14(2)7-4-8-18-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyTZHNURLYPXFNFT-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(bromomethyl)phenyl]-2-methyloxolane-2-carboxamide
CID 114309752
N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide
CID 81003405
N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
CID 81291548
N-(4-bromo-2-pyridinyl)-2-methyloxolane-2-carboxamide
CID 102820636
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
N-(4-ethyl-1H-pyrazol-5-yl)-2-methyloxolane-2-carboxamide
CID 104620257
1-[2-(4-bromo-2-ethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81287082
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
(2R,5S)-5-[(4-bromo-2-ethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945483
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
(Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide
CID 81003703
N-[2-cyano-4-(trifluoromethyl)phenyl]-2-methyloxolane-2-carboxamide
CID 115911267

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide (CID 81037060) is N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide is CCc1cc(Br)ccc1NC(=O)C1(C)CCCO1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide?
The InChIKey is TZHNURLYPXFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-3-10-9-11(15)5-6-12(10)16-13(17)14(2)7-4-8-18-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide?
N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 81037060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).