N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide

C23H16FN3O — CID 18415800

IUPACN-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H16FN3O/c24-17-9-5-15(6-10-17)23(28)25-18-11-7-14(8-12-18)21-20-13-16-3-1-2-4-19(16)22(20)27-26-21/h1-12H,13H2,(H,25,28)(H,26,27)
InChIKeyNOLCYERYIVQVJB-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.04
Rot. Bonds3

About N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide

N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide (PubChem CID 18415800) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide
PubChem CID18415800
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC NameN-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H16FN3O/c24-17-9-5-15(6-10-17)23(28)25-18-11-7-14(8-12-18)21-20-13-16-3-1-2-4-19(16)22(20)27-26-21/h1-12H,13H2,(H,25,28)(H,26,27)
InChIKeyNOLCYERYIVQVJB-UHFFFAOYSA-N
XLogP5.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]benzamide
CID 18415776
N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415871
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]piperidine-1-carboxamide
CID 18415820
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide
CID 18415804
CID 57297707
CID 57297707
2-[2-(dimethylamino)ethoxy]ethyl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate
CID 18415966
4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide
CID 18415999
acetic acid;1-(diethylamino)propan-2-yl N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]carbamate
CID 18415837
2-methyl-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)propanamide
CID 18415855
5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 10158438
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-(1H-indazol-3-yl)-N-phenylbenzamide
CID 146637903

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide (CID 18415800) is N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide is O=C(Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide?
The InChIKey is NOLCYERYIVQVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c24-17-9-5-15(6-10-17)23(28)25-18-11-7-14(8-12-18)21-20-13-16-3-1-2-4-19(16)22(20)27-26-21/h1-12H,13H2,(H,25,28)(H,26,27).
What are the key properties of N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide?
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide has a molecular weight of 369.40 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 18415800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).