N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

C19H17F2N3O2 — CID 162648579

IUPACN-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)N[C@H](C)c2c(F)cccc2F)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H17F2N3O2/c1-11(18-15(20)4-3-5-16(18)21)24-19(25)12-6-7-14(17(8-12)26-2)13-9-22-23-10-13/h3-11H,1-2H3,(H,22,23)(H,24,25)/t11-/m1/s1
InChIKeyWSXKSMSBOLIXMK-LLVKDONJSA-N
MW357.36 g/mol
LogP3.85
Rot. Bonds5

About N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 162648579) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID162648579
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)N[C@H](C)c2c(F)cccc2F)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H17F2N3O2/c1-11(18-15(20)4-3-5-16(18)21)24-19(25)12-6-7-14(17(8-12)26-2)13-9-22-23-10-13/h3-11H,1-2H3,(H,22,23)(H,24,25)/t11-/m1/s1
InChIKeyWSXKSMSBOLIXMK-LLVKDONJSA-N
XLogP3.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 162648579) is N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1cc(C(=O)N[C@H](C)c2c(F)cccc2F)ccc1-c1cn[nH]c1.
What is the InChIKey of N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is WSXKSMSBOLIXMK-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-11(18-15(20)4-3-5-16(18)21)24-19(25)12-6-7-14(17(8-12)26-2)13-9-22-23-10-13/h3-11H,1-2H3,(H,22,23)(H,24,25)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 357.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 162648579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).