N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide

C15H21ClN2O2 — CID 104667369

IUPACN-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C15H21ClN2O2/c1-7-5-12(17)11(16)6-13(7)18-15(19)14-8(2)9(3)20-10(14)4/h5-6,8-10,14H,17H2,1-4H3,(H,18,19)
InChIKeyHCKMVMOMQSQDCP-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.23
Rot. Bonds2

About N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 104667369) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID104667369
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C15H21ClN2O2/c1-7-5-12(17)11(16)6-13(7)18-15(19)14-8(2)9(3)20-10(14)4/h5-6,8-10,14H,17H2,1-4H3,(H,18,19)
InChIKeyHCKMVMOMQSQDCP-UHFFFAOYSA-N
XLogP3.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156973
N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 113438975
N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 104667623
N-(4-bromo-3,5-dimethylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 107574979
N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155869
2-methyl-6-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157289
N-(4-bromo-2-cyanophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 82707865
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65156905
N-(4-bromo-2-carbamothioylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 82693983
3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157238
N-(4-amino-5-chloro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 113438958

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 104667369) is N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide is Cc1cc(N)c(Cl)cc1NC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is HCKMVMOMQSQDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-7-5-12(17)11(16)6-13(7)18-15(19)14-8(2)9(3)20-10(14)4/h5-6,8-10,14H,17H2,1-4H3,(H,18,19).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 104667369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).