5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide

C17H18ClNO3 — CID 42107591

IUPAC5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H18ClNO3/c1-11-15(17(20)19-10-14-3-2-8-21-14)9-16(22-11)12-4-6-13(18)7-5-12/h4-7,9,14H,2-3,8,10H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeySQVDZPXIPIYQIP-AWEZNQCLSA-N
MW319.79 g/mol
LogP3.82
Rot. Bonds4

About 5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide

5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide (PubChem CID 42107591) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
PubChem CID42107591
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H18ClNO3/c1-11-15(17(20)19-10-14-3-2-8-21-14)9-16(22-11)12-4-6-13(18)7-5-12/h4-7,9,14H,2-3,8,10H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeySQVDZPXIPIYQIP-AWEZNQCLSA-N
XLogP3.82
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide
CID 95096640
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2-propylfuran-3-carboxamide
CID 27244468
7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide
CID 31883572
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
3-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472669

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide (CID 42107591) is 5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide is Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide?
The InChIKey is SQVDZPXIPIYQIP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-11-15(17(20)19-10-14-3-2-8-21-14)9-16(22-11)12-4-6-13(18)7-5-12/h4-7,9,14H,2-3,8,10H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 42107591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).