N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide

C13H14Cl2N2O3 — CID 113001183

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-9-4-3-8(6-10(9)15)17-12(18)7-16-13(19)11-2-1-5-20-11/h3-4,6,11H,1-2,5,7H2,(H,16,19)(H,17,18)
InChIKeyGLDKIORETPZLCH-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.23
Rot. Bonds4

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 113001183) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID113001183
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-9-4-3-8(6-10(9)15)17-12(18)7-16-13(19)11-2-1-5-20-11/h3-4,6,11H,1-2,5,7H2,(H,16,19)(H,17,18)
InChIKeyGLDKIORETPZLCH-UHFFFAOYSA-N
XLogP2.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112999667
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001915
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide
CID 82034974
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 110605031
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide
CID 113000233
2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
CID 900578

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide (CID 113001183) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide is O=C(CNC(=O)C1CCCO1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is GLDKIORETPZLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-9-4-3-8(6-10(9)15)17-12(18)7-16-13(19)11-2-1-5-20-11/h3-4,6,11H,1-2,5,7H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 317.17 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113001183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).