N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide

C14H19BrN2O2 — CID 107583569

IUPACN-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-3-16-13-8-19-7-12(13)14(18)17-11-5-9(2)4-10(15)6-11/h4-6,12-13,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyVHHMHLIMFQNTTR-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.32
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide

N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 107583569) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID107583569
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-3-16-13-8-19-7-12(13)14(18)17-11-5-9(2)4-10(15)6-11/h4-6,12-13,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyVHHMHLIMFQNTTR-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide (CID 107583569) is N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)Nc1cc(C)cc(Br)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is VHHMHLIMFQNTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-3-16-13-8-19-7-12(13)14(18)17-11-5-9(2)4-10(15)6-11/h4-6,12-13,16H,3,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide?
N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 107583569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).