N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide

C18H17N3O2 — CID 112989824

IUPACN-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H17N3O2/c19-12-13-4-1-2-5-16(13)20-14-7-9-15(10-8-14)21-18(22)17-6-3-11-23-17/h1-2,4-5,7-10,17,20H,3,6,11H2,(H,21,22)
InChIKeyLHSZEODXDRARRV-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.42
Rot. Bonds4

About N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide

N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide (PubChem CID 112989824) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide
PubChem CID112989824
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H17N3O2/c19-12-13-4-1-2-5-16(13)20-14-7-9-15(10-8-14)21-18(22)17-6-3-11-23-17/h1-2,4-5,7-10,17,20H,3,6,11H2,(H,21,22)
InChIKeyLHSZEODXDRARRV-UHFFFAOYSA-N
XLogP3.42
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
CID 112989877
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-phenyloxolane-2-carboxamide
CID 3453643
(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
CID 900578
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113022851
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
N-[4-(2-cyanoanilino)phenyl]benzamide
CID 112989829
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
CID 43580330
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
CID 112989098

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide (CID 112989824) is N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide is N#Cc1ccccc1Nc1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide?
The InChIKey is LHSZEODXDRARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-12-13-4-1-2-5-16(13)20-14-7-9-15(10-8-14)21-18(22)17-6-3-11-23-17/h1-2,4-5,7-10,17,20H,3,6,11H2,(H,21,22).
What are the key properties of N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide?
N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 112989824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).