2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide

C14H14Cl2FN3O — CID 48529543

IUPAC2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide
SMILESCc1c(C(C)NC(=O)c2cc(F)c(Cl)cc2Cl)cnn1C
InChIInChI=1S/C14H14Cl2FN3O/c1-7(10-6-18-20(3)8(10)2)19-14(21)9-4-13(17)12(16)5-11(9)15/h4-7H,1-3H3,(H,19,21)
InChIKeyQMQFSYCUIYHPDX-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.67
Rot. Bonds3

About 2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide

2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide (PubChem CID 48529543) has the molecular formula C14H14Cl2FN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide
PubChem CID48529543
Molecular FormulaC14H14Cl2FN3O
Molecular Weight330.19 g/mol
Exact Mass329.05
IUPAC Name2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide
SMILESCc1c(C(C)NC(=O)c2cc(F)c(Cl)cc2Cl)cnn1C
InChIInChI=1S/C14H14Cl2FN3O/c1-7(10-6-18-20(3)8(10)2)19-14(21)9-4-13(17)12(16)5-11(9)15/h4-7H,1-3H3,(H,19,21)
InChIKeyQMQFSYCUIYHPDX-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-difluorobenzamide
CID 94802139
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 94805812
5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide
CID 19469091
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
6-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46975846
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
CID 78985186
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 81146308
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 47027951
1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 7470090
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469013
3-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylbenzamide
CID 104852148

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide (CID 48529543) is 2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide is Cc1c(C(C)NC(=O)c2cc(F)c(Cl)cc2Cl)cnn1C.
What is the InChIKey of 2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide?
The InChIKey is QMQFSYCUIYHPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3O/c1-7(10-6-18-20(3)8(10)2)19-14(21)9-4-13(17)12(16)5-11(9)15/h4-7H,1-3H3,(H,19,21).
What are the key properties of 2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide?
2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide has a molecular weight of 330.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide is sourced from PubChem (CID 48529543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).