N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide

C19H17Cl2N3O — CID 31361004

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H17Cl2N3O/c1-13-10-11-22-24(13)16-8-6-14(7-9-16)19(25)23(2)12-15-4-3-5-17(20)18(15)21/h3-11H,12H2,1-2H3
InChIKeyZFLHWHPGTUPMBY-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.76
Rot. Bonds4

About N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide

N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 31361004) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID31361004
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H17Cl2N3O/c1-13-10-11-22-24(13)16-8-6-14(7-9-16)19(25)23(2)12-15-4-3-5-17(20)18(15)21/h3-11H,12H2,1-2H3
InChIKeyZFLHWHPGTUPMBY-UHFFFAOYSA-N
XLogP4.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9379054
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29415782
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
CID 9426110
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 38047200
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
N-[(2,3-dichlorophenyl)methyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 27773732
5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625917
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 9171384
N-[2-(dimethylamino)-2-oxoethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9481086

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide (CID 31361004) is N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide is Cc1ccnn1-c1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is ZFLHWHPGTUPMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-13-10-11-22-24(13)16-8-6-14(7-9-16)19(25)23(2)12-15-4-3-5-17(20)18(15)21/h3-11H,12H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide?
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 374.27 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 31361004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).