N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide

C13H17ClN2O2 — CID 66267529

IUPACN-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-8-3-4-9(5-11(8)14)16-13(17)10-6-18-7-12(10)15-2/h3-5,10,12,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyANHXYDWDHBEANW-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.82
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide

N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66267529) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66267529
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-8-3-4-9(5-11(8)14)16-13(17)10-6-18-7-12(10)15-2/h3-5,10,12,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyANHXYDWDHBEANW-UHFFFAOYSA-N
XLogP1.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265988
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267349
4-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 66267762
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
N-(2-chloro-3-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 114252133
N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265960
N-(3-cyano-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267430
5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid
CID 66258924
N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide
CID 107805191
2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856466
6-[(3-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 588270

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide (CID 66267529) is N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is ANHXYDWDHBEANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8-3-4-9(5-11(8)14)16-13(17)10-6-18-7-12(10)15-2/h3-5,10,12,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide?
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66267529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).