2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

C18H18F2N2O3 — CID 134710117

IUPAC2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCOc1c(F)ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1F
InChIInChI=1S/C18H18F2N2O3/c1-24-17-14(19)3-2-13(16(17)20)18(23)22-15-10-25-9-12(15)8-11-4-6-21-7-5-11/h2-7,12,15H,8-10H2,1H3,(H,22,23)/t12-,15+/m1/s1
InChIKeyRCEPPMHAYYKBQF-DOMZBBRYSA-N
MW348.35 g/mol
LogP2.36
Rot. Bonds5

About 2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (PubChem CID 134710117) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
PubChem CID134710117
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCOc1c(F)ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1F
InChIInChI=1S/C18H18F2N2O3/c1-24-17-14(19)3-2-13(16(17)20)18(23)22-15-10-25-9-12(15)8-11-4-6-21-7-5-11/h2-7,12,15H,8-10H2,1H3,(H,22,23)/t12-,15+/m1/s1
InChIKeyRCEPPMHAYYKBQF-DOMZBBRYSA-N
XLogP2.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (CID 134710117) is 2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is COc1c(F)ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1F.
What is the InChIKey of 2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The InChIKey is RCEPPMHAYYKBQF-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-24-17-14(19)3-2-13(16(17)20)18(23)22-15-10-25-9-12(15)8-11-4-6-21-7-5-11/h2-7,12,15H,8-10H2,1H3,(H,22,23)/t12-,15+/m1/s1.
What are the key properties of 2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 134710117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).