4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide

C12H15ClN2O2 — CID 114252127

IUPAC4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
SMILESCc1cccc(NC(=O)C2COCC2N)c1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-3-2-4-10(11(7)13)15-12(16)8-5-17-6-9(8)14/h2-4,8-9H,5-6,14H2,1H3,(H,15,16)
InChIKeyKQWJYRSFISDBSY-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.56
Rot. Bonds2

About 4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide

4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide (PubChem CID 114252127) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
PubChem CID114252127
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
SMILESCc1cccc(NC(=O)C2COCC2N)c1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-3-2-4-10(11(7)13)15-12(16)8-5-17-6-9(8)14/h2-4,8-9H,5-6,14H2,1H3,(H,15,16)
InChIKeyKQWJYRSFISDBSY-UHFFFAOYSA-N
XLogP1.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide
CID 66240994
N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 114252133
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide
CID 66239441
4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide
CID 66240401
4-amino-N-(3-methoxy-2,4-dimethylphenyl)oxolane-3-carboxamide
CID 66239016
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid
CID 66238111
2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid
CID 66237669
4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide
CID 66240231
4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
CID 107574306
4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide
CID 66239424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide (CID 114252127) is 4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide is Cc1cccc(NC(=O)C2COCC2N)c1Cl.
What is the InChIKey of 4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide?
The InChIKey is KQWJYRSFISDBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-3-2-4-10(11(7)13)15-12(16)8-5-17-6-9(8)14/h2-4,8-9H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide?
4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 114252127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).