4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide

C18H19F2NO2 — CID 59165593

IUPAC4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide
SMILESCOCc1cc(C(=O)NC(C)C)ccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2NO2/c1-11(2)21-18(22)13-4-6-15(14(8-13)10-23-3)12-5-7-16(19)17(20)9-12/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyIDZLKBDCNOBDSR-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.92
Rot. Bonds5

About 4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide

4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide (PubChem CID 59165593) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide
PubChem CID59165593
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide
SMILESCOCc1cc(C(=O)NC(C)C)ccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2NO2/c1-11(2)21-18(22)13-4-6-15(14(8-13)10-23-3)12-5-7-16(19)17(20)9-12/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyIDZLKBDCNOBDSR-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide (CID 59165593) is 4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide is COCc1cc(C(=O)NC(C)C)ccc1-c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide?
The InChIKey is IDZLKBDCNOBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-11(2)21-18(22)13-4-6-15(14(8-13)10-23-3)12-5-7-16(19)17(20)9-12/h4-9,11H,10H2,1-3H3,(H,21,22).
What are the key properties of 4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide?
4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide has a molecular weight of 319.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 59165593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).