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

C12H14ClN3O3 — CID 66241024

IUPAC4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2COCC2N)ccc1Cl
InChIInChI=1S/C12H14ClN3O3/c13-9-2-1-6(3-7(9)11(15)17)16-12(18)8-4-19-5-10(8)14/h1-3,8,10H,4-5,14H2,(H2,15,17)(H,16,18)
InChIKeyRTLIGNVDLNPDHW-UHFFFAOYSA-N
MW283.72 g/mol
LogP0.35
Rot. Bonds3

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

4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide (PubChem CID 66241024) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
PubChem CID66241024
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC Name4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2COCC2N)ccc1Cl
InChIInChI=1S/C12H14ClN3O3/c13-9-2-1-6(3-7(9)11(15)17)16-12(18)8-4-19-5-10(8)14/h1-3,8,10H,4-5,14H2,(H2,15,17)(H,16,18)
InChIKeyRTLIGNVDLNPDHW-UHFFFAOYSA-N
XLogP0.35
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66240431
N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265988
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
5-[(2-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide
CID 64823543
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide
CID 66235659
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449
4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
CID 79241184
4-amino-N-(2-chloro-5-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239243
4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid
CID 66238111

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide (CID 66241024) is 4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide is NC(=O)c1cc(NC(=O)C2COCC2N)ccc1Cl.
What is the InChIKey of 4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide?
The InChIKey is RTLIGNVDLNPDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-2-1-6(3-7(9)11(15)17)16-12(18)8-4-19-5-10(8)14/h1-3,8,10H,4-5,14H2,(H2,15,17)(H,16,18).
What are the key properties of 4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide?
4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide has a molecular weight of 283.72 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66241024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).