N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide

C19H17F2N3O2 — CID 118663056

IUPACN-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(C(=O)N[C@H](CO)c2c(F)cccc2F)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H17F2N3O2/c1-11-7-12(5-6-14(11)13-8-22-23-9-13)19(26)24-17(10-25)18-15(20)3-2-4-16(18)21/h2-9,17,25H,10H2,1H3,(H,22,23)(H,24,26)/t17-/m1/s1
InChIKeySYAFKJOXGPOOAP-QGZVFWFLSA-N
MW357.36 g/mol
LogP3.13
Rot. Bonds5

About N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide

N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118663056) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118663056
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(C(=O)N[C@H](CO)c2c(F)cccc2F)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H17F2N3O2/c1-11-7-12(5-6-14(11)13-8-22-23-9-13)19(26)24-17(10-25)18-15(20)3-2-4-16(18)21/h2-9,17,25H,10H2,1H3,(H,22,23)(H,24,26)/t17-/m1/s1
InChIKeySYAFKJOXGPOOAP-QGZVFWFLSA-N
XLogP3.13
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide (CID 118663056) is N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide is Cc1cc(C(=O)N[C@H](CO)c2c(F)cccc2F)ccc1-c1cn[nH]c1.
What is the InChIKey of N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is SYAFKJOXGPOOAP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-11-7-12(5-6-14(11)13-8-22-23-9-13)19(26)24-17(10-25)18-15(20)3-2-4-16(18)21/h2-9,17,25H,10H2,1H3,(H,22,23)(H,24,26)/t17-/m1/s1.
What are the key properties of N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 357.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118663056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).