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

C14H16Cl2N2O3 — CID 113001284

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
SMILESO=C(CNC(=O)C1CCOCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-10-1-2-12(11(16)7-10)18-13(19)8-17-14(20)9-3-5-21-6-4-9/h1-2,7,9H,3-6,8H2,(H,17,20)(H,18,19)
InChIKeySWCZZOJRKJETSR-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.47
Rot. Bonds4

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

N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide (PubChem CID 113001284) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
PubChem CID113001284
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
SMILESO=C(CNC(=O)C1CCOCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-10-1-2-12(11(16)7-10)18-13(19)8-17-14(20)9-3-5-21-6-4-9/h1-2,7,9H,3-6,8H2,(H,17,20)(H,18,19)
InChIKeySWCZZOJRKJETSR-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-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
1-(2,4-dichlorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912758
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
2-(cyclohexylcarbamoylamino)-N-(2,4-dichlorophenyl)acetamide
CID 113001281
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide
CID 63100059
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide
CID 166222335
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide
CID 112997122
N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
CID 110864058

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide (CID 113001284) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide is O=C(CNC(=O)C1CCOCC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is SWCZZOJRKJETSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-1-2-12(11(16)7-10)18-13(19)8-17-14(20)9-3-5-21-6-4-9/h1-2,7,9H,3-6,8H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide?
N-[2-(2,4-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-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 113001284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).