N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide

C19H17ClN2O3 — CID 154849787

IUPACN-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide
SMILESN#Cc1cc(O)cc(C(=O)NC2(Cc3cccc(Cl)c3)CCOC2)c1
InChIInChI=1S/C19H17ClN2O3/c20-16-3-1-2-13(7-16)10-19(4-5-25-12-19)22-18(24)15-6-14(11-21)8-17(23)9-15/h1-3,6-9,23H,4-5,10,12H2,(H,22,24)
InChIKeyYTSNTEADDZAWCA-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.05
Rot. Bonds4

About N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide

N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide (PubChem CID 154849787) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide
PubChem CID154849787
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide
SMILESN#Cc1cc(O)cc(C(=O)NC2(Cc3cccc(Cl)c3)CCOC2)c1
InChIInChI=1S/C19H17ClN2O3/c20-16-3-1-2-13(7-16)10-19(4-5-25-12-19)22-18(24)15-6-14(11-21)8-17(23)9-15/h1-3,6-9,23H,4-5,10,12H2,(H,22,24)
InChIKeyYTSNTEADDZAWCA-UHFFFAOYSA-N
XLogP3.05
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide
CID 146076468
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
N-[4-(bromomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106304718
3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde
CID 130663247
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106297118
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide
CID 146083807
N-[4-[3-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]amino]propoxy]phenyl]-N-methylmethanesulfonamide
CID 172620566
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-cyanobenzamide
CID 114304169
4-(chloromethyl)-4-[(3-chlorophenyl)methyl]oxane
CID 66033526

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide?
The IUPAC name of N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide (CID 154849787) is N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide is N#Cc1cc(O)cc(C(=O)NC2(Cc3cccc(Cl)c3)CCOC2)c1.
What is the InChIKey of N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide?
The InChIKey is YTSNTEADDZAWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-16-3-1-2-13(7-16)10-19(4-5-25-12-19)22-18(24)15-6-14(11-21)8-17(23)9-15/h1-3,6-9,23H,4-5,10,12H2,(H,22,24).
What are the key properties of N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide?
N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide has a molecular weight of 356.81 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide is sourced from PubChem (CID 154849787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).