4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide

C13H16ClN3O3 — CID 115293838

IUPAC4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C13H16ClN3O3/c14-9-2-1-8(11(15)18)7-10(9)17-12(19)13(16)3-5-20-6-4-13/h1-2,7H,3-6,16H2,(H2,15,18)(H,17,19)
InChIKeyHQMXJZMAJSJSSO-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.89
Rot. Bonds3

About 4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide

4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide (PubChem CID 115293838) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide
PubChem CID115293838
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C13H16ClN3O3/c14-9-2-1-8(11(15)18)7-10(9)17-12(19)13(16)3-5-20-6-4-13/h1-2,7H,3-6,16H2,(H2,15,18)(H,17,19)
InChIKeyHQMXJZMAJSJSSO-UHFFFAOYSA-N
XLogP0.89
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide
CID 65464421
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
CID 115293932
3-[(4-aminooxane-4-carbonyl)amino]-4-bromobenzoic acid
CID 107813404
3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 43706072
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
4-amino-N-(2-chloro-4-cyanophenyl)oxane-4-carboxamide
CID 107808130
2-[(4-aminooxane-4-carbonyl)amino]-4-chlorobenzoic acid
CID 115294490
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
3-amino-N-(2,4-dichlorophenyl)oxolane-3-carboxamide
CID 64892685
N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide
CID 115293893

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide (CID 115293838) is 4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide is NC(=O)c1ccc(Cl)c(NC(=O)C2(N)CCOCC2)c1.
What is the InChIKey of 4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide?
The InChIKey is HQMXJZMAJSJSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-9-2-1-8(11(15)18)7-10(9)17-12(19)13(16)3-5-20-6-4-13/h1-2,7H,3-6,16H2,(H2,15,18)(H,17,19).
What are the key properties of 4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide?
4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide has a molecular weight of 297.74 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 115293838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).