N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide

C18H16FN3O2 — CID 118662948

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(O)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-11(12-2-5-15(19)6-3-12)22-18(24)13-4-7-16(17(23)8-13)14-9-20-21-10-14/h2-11,23H,1H3,(H,20,21)(H,22,24)/t11-/m1/s1
InChIKeyLFJFWJSDSCDXIT-LLVKDONJSA-N
MW325.34 g/mol
LogP3.41
Rot. Bonds4

About N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118662948) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118662948
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(O)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-11(12-2-5-15(19)6-3-12)22-18(24)13-4-7-16(17(23)8-13)14-9-20-21-10-14/h2-11,23H,1H3,(H,20,21)(H,22,24)/t11-/m1/s1
InChIKeyLFJFWJSDSCDXIT-LLVKDONJSA-N
XLogP3.41
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90375300
3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118668478
3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663049
3-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85469693
3-methoxy-N-(1-naphthalen-2-ylethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 90354155
3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68515087
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663007
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103856090
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide (CID 118662948) is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide is C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(O)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is LFJFWJSDSCDXIT-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11(12-2-5-15(19)6-3-12)22-18(24)13-4-7-16(17(23)8-13)14-9-20-21-10-14/h2-11,23H,1H3,(H,20,21)(H,22,24)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 325.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118662948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).