N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide

C13H13ClN2O2 — CID 102676300

IUPACN-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(C#N)cc2Cl)CO1
InChIInChI=1S/C13H13ClN2O2/c1-8-4-10(7-18-8)13(17)16-12-3-2-9(6-15)5-11(12)14/h2-3,5,8,10H,4,7H2,1H3,(H,16,17)
InChIKeyZJFCWLMYHOPCII-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.58
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide

N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide (PubChem CID 102676300) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide
PubChem CID102676300
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(C#N)cc2Cl)CO1
InChIInChI=1S/C13H13ClN2O2/c1-8-4-10(7-18-8)13(17)16-12-3-2-9(6-15)5-11(12)14/h2-3,5,8,10H,4,7H2,1H3,(H,16,17)
InChIKeyZJFCWLMYHOPCII-UHFFFAOYSA-N
XLogP2.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-5-methyloxolane-3-carboxamide
CID 107809867
N-(5-bromo-2-cyanophenyl)-5-methyloxolane-3-carboxamide
CID 102676308
(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
CID 107807941
(1S,6R)-6-[(2-chloro-4-cyanophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107807118
(1R,2S,5R)-N-(2-chloro-4-cyanophenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 67477166
N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide
CID 102676289
(2R,5S)-5-[(2-chloro-4-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107807123
3-[(2-chloro-5-cyanophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550953
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methyloxolane-3-carboxamide
CID 114826565
N-(4-cyano-2-methylphenyl)oxirane-2-carboxamide
CID 155732307
5-methyl-2-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824330
N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 103799791

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide (CID 102676300) is N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)Nc2ccc(C#N)cc2Cl)CO1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide?
The InChIKey is ZJFCWLMYHOPCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-4-10(7-18-8)13(17)16-12-3-2-9(6-15)5-11(12)14/h2-3,5,8,10H,4,7H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide?
N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 102676300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).