N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide

C23H17ClFN3O2 — CID 19590412

IUPACN-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide
SMILESO=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(COc2ccc(F)cc2)cc1
InChIInChI=1S/C23H17ClFN3O2/c24-18-13-26-28(14-18)21-9-7-20(8-10-21)27-23(29)17-3-1-16(2-4-17)15-30-22-11-5-19(25)6-12-22/h1-14H,15H2,(H,27,29)
InChIKeyDQLHQKMQCGBWCP-UHFFFAOYSA-N
MW421.86 g/mol
LogP5.50
Rot. Bonds6

About N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide

N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide (PubChem CID 19590412) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide
PubChem CID19590412
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC NameN-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide
SMILESO=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(COc2ccc(F)cc2)cc1
InChIInChI=1S/C23H17ClFN3O2/c24-18-13-26-28(14-18)21-9-7-20(8-10-21)27-23(29)17-3-1-16(2-4-17)15-30-22-11-5-19(25)6-12-22/h1-14H,15H2,(H,27,29)
InChIKeyDQLHQKMQCGBWCP-UHFFFAOYSA-N
XLogP5.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.86
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromophenoxy)methyl]-N-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzamide
CID 997073
4-[(4-bromophenoxy)methyl]-N-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzamide
CID 997311
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
3-[[4-[1-[4-[4-(Trifluoromethyl)pyrazol-1-yl]phenoxy]butyl]benzoyl]amino]propanoic acid
CID 60151375
N-(4-ethoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7947603
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 70692158
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70694213
2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1224532
3-[[4-[1-[4-[4-(Trifluoromethyl)pyrazol-1-yl]phenoxy]propyl]benzoyl]amino]propanoic acid
CID 60151937
3-[[4-[1-[4-(4-Chloropyrazol-1-yl)phenoxy]butyl]benzoyl]amino]propanoic acid
CID 60152737
3-[[4-[1-[4-(4-Fluoropyrazol-1-yl)phenoxy]butyl]benzoyl]amino]propanoic acid
CID 60152880

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide?
The IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide (CID 19590412) is N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide.
What is the SMILES notation for N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide?
The canonical SMILES for N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide is O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(COc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide?
The InChIKey is DQLHQKMQCGBWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c24-18-13-26-28(14-18)21-9-7-20(8-10-21)27-23(29)17-3-1-16(2-4-17)15-30-22-11-5-19(25)6-12-22/h1-14H,15H2,(H,27,29).
What are the key properties of N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide?
N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide has a molecular weight of 421.86 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide is sourced from PubChem (CID 19590412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).