N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C18H15ClFN3O — CID 1244395

IUPACN-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)n1
InChIInChI=1S/C18H15ClFN3O/c1-11-9-12(2)23(22-11)15-6-3-13(4-7-15)18(24)21-14-5-8-17(20)16(19)10-14/h3-10H,1-2H3,(H,21,24)
InChIKeyPYRXZJCGQWGTML-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.53
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 1244395) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID1244395
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)n1
InChIInChI=1S/C18H15ClFN3O/c1-11-9-12(2)23(22-11)15-6-3-13(4-7-15)18(24)21-14-5-8-17(20)16(19)10-14/h3-10H,1-2H3,(H,21,24)
InChIKeyPYRXZJCGQWGTML-UHFFFAOYSA-N
XLogP4.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55892665
4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 39734609
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
N-[4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765682
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875
N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 26877253

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 1244395) is N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is PYRXZJCGQWGTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-11-9-12(2)23(22-11)15-6-3-13(4-7-15)18(24)21-14-5-8-17(20)16(19)10-14/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 343.79 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 1244395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).