5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide

C13H15Cl2N3O3 — CID 71919491

IUPAC5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide
SMILESNC(=O)C1CCC(CNC(=O)Nc2cc(Cl)ccc2Cl)O1
InChIInChI=1S/C13H15Cl2N3O3/c14-7-1-3-9(15)10(5-7)18-13(20)17-6-8-2-4-11(21-8)12(16)19/h1,3,5,8,11H,2,4,6H2,(H2,16,19)(H2,17,18,20)
InChIKeyCHFOTCKLMCHSDN-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.15
Rot. Bonds4

About 5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide

5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide (PubChem CID 71919491) has the molecular formula C13H15Cl2N3O3 and a molecular weight of 332.19 g/mol. Its IUPAC name is 5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide
PubChem CID71919491
Molecular FormulaC13H15Cl2N3O3
Molecular Weight332.19 g/mol
Exact Mass331.05
IUPAC Name5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide
SMILESNC(=O)C1CCC(CNC(=O)Nc2cc(Cl)ccc2Cl)O1
InChIInChI=1S/C13H15Cl2N3O3/c14-7-1-3-9(15)10(5-7)18-13(20)17-6-8-2-4-11(21-8)12(16)19/h1,3,5,8,11H,2,4,6H2,(H2,16,19)(H2,17,18,20)
InChIKeyCHFOTCKLMCHSDN-UHFFFAOYSA-N
XLogP2.15
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide
CID 99826918
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea
CID 114189607
5-[[(4,5-diethoxy-2-nitrophenyl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 167876993
(2S,5R)-5-(aminomethyl)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyloxolane-2-carboxamide;hydrochloride
CID 120783767
1-[5-(aminomethyl)oxolan-2-yl]-2-(2,5-dichlorophenyl)ethanone
CID 116589208
(2R,5R)-5-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 97225540
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(2,4-dichlorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912758
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
CID 71851839
5-[[(2-bromo-5-fluorophenyl)carbamoylamino]methyl]oxolane-2-carboxylic acid
CID 107628968

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide (CID 71919491) is 5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide is NC(=O)C1CCC(CNC(=O)Nc2cc(Cl)ccc2Cl)O1.
What is the InChIKey of 5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide?
The InChIKey is CHFOTCKLMCHSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O3/c14-7-1-3-9(15)10(5-7)18-13(20)17-6-8-2-4-11(21-8)12(16)19/h1,3,5,8,11H,2,4,6H2,(H2,16,19)(H2,17,18,20).
What are the key properties of 5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide?
5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide has a molecular weight of 332.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 71919491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).