N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide

C20H20FN3O3 — CID 118662950

IUPACN-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1ccc(F)c(C(C)NC(=O)c2ccc(-c3cn[nH]c3)cc2OC)c1
InChIInChI=1S/C20H20FN3O3/c1-12(17-9-15(26-2)5-7-18(17)21)24-20(25)16-6-4-13(8-19(16)27-3)14-10-22-23-11-14/h4-12H,1-3H3,(H,22,23)(H,24,25)
InChIKeyMVTQJLVXODOUEE-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.72
Rot. Bonds6

About N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide

N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118662950) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118662950
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1ccc(F)c(C(C)NC(=O)c2ccc(-c3cn[nH]c3)cc2OC)c1
InChIInChI=1S/C20H20FN3O3/c1-12(17-9-15(26-2)5-7-18(17)21)24-20(25)16-6-4-13(8-19(16)27-3)14-10-22-23-11-14/h4-12H,1-3H3,(H,22,23)(H,24,25)
InChIKeyMVTQJLVXODOUEE-UHFFFAOYSA-N
XLogP3.72
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
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
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 90354057

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 118662950) is N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1ccc(F)c(C(C)NC(=O)c2ccc(-c3cn[nH]c3)cc2OC)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is MVTQJLVXODOUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-12(17-9-15(26-2)5-7-18(17)21)24-20(25)16-6-4-13(8-19(16)27-3)14-10-22-23-11-14/h4-12H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 369.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118662950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).