N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide

C13H16ClN3O3 — CID 66265988

IUPACN-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C13H16ClN3O3/c1-16-11-6-20-5-9(11)13(19)17-7-2-3-10(14)8(4-7)12(15)18/h2-4,9,11,16H,5-6H2,1H3,(H2,15,18)(H,17,19)
InChIKeyIEXKWJVAPPJOCB-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.61
Rot. Bonds4

About N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide

N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66265988) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66265988
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C13H16ClN3O3/c1-16-11-6-20-5-9(11)13(19)17-7-2-3-10(14)8(4-7)12(15)18/h2-4,9,11,16H,5-6H2,1H3,(H2,15,18)(H,17,19)
InChIKeyIEXKWJVAPPJOCB-UHFFFAOYSA-N
XLogP0.61
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267349
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66240431
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266787
N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265960
5-[(2-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide
CID 64823543
N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267430
N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide
CID 107805191
3-[(3-carbamoyl-4-chlorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56761209

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide (CID 66265988) is N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is IEXKWJVAPPJOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-16-11-6-20-5-9(11)13(19)17-7-2-3-10(14)8(4-7)12(15)18/h2-4,9,11,16H,5-6H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide?
N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 297.74 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66265988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).