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

C14H16Cl2N2O3 — CID 113001519

IUPACN-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
SMILESO=C(CNC(=O)C1CCOCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-10-2-1-3-11(13(10)16)18-12(19)8-17-14(20)9-4-6-21-7-5-9/h1-3,9H,4-8H2,(H,17,20)(H,18,19)
InChIKeyOAURSYLNZICYBM-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.47
Rot. Bonds4

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

N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide (PubChem CID 113001519) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
PubChem CID113001519
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC NameN-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
SMILESO=C(CNC(=O)C1CCOCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-10-2-1-3-11(13(10)16)18-12(19)8-17-14(20)9-4-6-21-7-5-9/h1-3,9H,4-8H2,(H,17,20)(H,18,19)
InChIKeyOAURSYLNZICYBM-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001284
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide
CID 112997122
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
2-(cyclopropylmethylamino)-N-(2,3-dichlorophenyl)acetamide
CID 60843168
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
N-cyclopropyl-2-[(2,3-dichlorophenyl)carbamoylamino]acetamide
CID 47133418
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
N-(2,6-dichlorophenyl)-2-(oxan-4-ylamino)acetamide
CID 43627352
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 113002379

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide (CID 113001519) is N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide is O=C(CNC(=O)C1CCOCC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is OAURSYLNZICYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-2-1-3-11(13(10)16)18-12(19)8-17-14(20)9-4-6-21-7-5-9/h1-3,9H,4-8H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide?
N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 113001519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).