4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid

C13H15ClN2O4 — CID 66249127

IUPAC4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-13(12(18)19)6-20-5-10(13)16-9-3-2-7(11(15)17)4-8(9)14/h2-4,10,16H,5-6H2,1H3,(H2,15,17)(H,18,19)
InChIKeySRHMTWYTSFHUFO-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.34
Rot. Bonds4

About 4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid

4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid (PubChem CID 66249127) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid
PubChem CID66249127
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-13(12(18)19)6-20-5-10(13)16-9-3-2-7(11(15)17)4-8(9)14/h2-4,10,16H,5-6H2,1H3,(H2,15,17)(H,18,19)
InChIKeySRHMTWYTSFHUFO-UHFFFAOYSA-N
XLogP1.34
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-3-chlorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249336
4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256427
4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid
CID 66250103
4-(4-carbamoyl-3-methylanilino)-3-methyloxolane-3-carboxylic acid
CID 81272965
4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid
CID 114335462
4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66254723
3-methyl-4-(2-nitroanilino)oxolane-3-carboxylic acid
CID 66248342
4-[(4-bromo-2-chlorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66255482
3-chloro-4-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872961
4-[[2-(3-aminophenyl)acetyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66249930
4-[(3-chloro-5-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 81323538
4-[(3-chlorothiophene-2-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 80644457

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid (CID 66249127) is 4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1Nc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid?
The InChIKey is SRHMTWYTSFHUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-13(12(18)19)6-20-5-10(13)16-9-3-2-7(11(15)17)4-8(9)14/h2-4,10,16H,5-6H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid?
4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid has a molecular weight of 298.73 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66249127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).