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

C19H17F2N3O2 — CID 118663029

IUPACN-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(=O)NC(C)c1c(F)cccc1F
InChIInChI=1S/C19H17F2N3O2/c1-11(18-15(20)4-3-5-16(18)21)24-19(25)14-7-6-12(8-17(14)26-2)13-9-22-23-10-13/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyFCWLESDKJOPDNI-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.85
Rot. Bonds5

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

N-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118663029) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118663029
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(=O)NC(C)c1c(F)cccc1F
InChIInChI=1S/C19H17F2N3O2/c1-11(18-15(20)4-3-5-16(18)21)24-19(25)14-7-6-12(8-17(14)26-2)13-9-22-23-10-13/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyFCWLESDKJOPDNI-UHFFFAOYSA-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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Related Compounds

Melk-T1(jnj-47117096)
CID 73442760
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 85469696
3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90354217
N-[(1S)-2-amino-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90385099
3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118662989
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 118662999
2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663021
3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 162670833
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995077
2,2,2-trifluoro-1-[4-[7-(1H-pyrazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]ethanone
CID 59604870
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 76070677
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85470447

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 118663029) is N-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1cc(-c2cn[nH]c2)ccc1C(=O)NC(C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is FCWLESDKJOPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-11(18-15(20)4-3-5-16(18)21)24-19(25)14-7-6-12(8-17(14)26-2)13-9-22-23-10-13/h3-11H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-[1-(2,6-difluorophenyl)ethyl]-2-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-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118663029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).