N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide

C15H18ClFN4O — CID 22196482

IUPACN-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1c(CN(C)CC(=O)Nc2ccc(F)c(Cl)c2)cnn1C
InChIInChI=1S/C15H18ClFN4O/c1-10-11(7-18-21(10)3)8-20(2)9-15(22)19-12-4-5-14(17)13(16)6-12/h4-7H,8-9H2,1-3H3,(H,19,22)
InChIKeyIELXCCNJYFGKIN-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.59
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 22196482) has the molecular formula C15H18ClFN4O and a molecular weight of 324.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID22196482
Molecular FormulaC15H18ClFN4O
Molecular Weight324.79 g/mol
Exact Mass324.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1c(CN(C)CC(=O)Nc2ccc(F)c(Cl)c2)cnn1C
InChIInChI=1S/C15H18ClFN4O/c1-10-11(7-18-21(10)3)8-20(2)9-15(22)19-12-4-5-14(17)13(16)6-12/h4-7H,8-9H2,1-3H3,(H,19,22)
InChIKeyIELXCCNJYFGKIN-UHFFFAOYSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 17378412
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 22196432
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 18131356
N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054347
2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide
CID 22196447
N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22194169
methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate
CID 22196471
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8552057
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964034
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 71982948
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide (CID 22196482) is N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide is Cc1c(CN(C)CC(=O)Nc2ccc(F)c(Cl)c2)cnn1C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is IELXCCNJYFGKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O/c1-10-11(7-18-21(10)3)8-20(2)9-15(22)19-12-4-5-14(17)13(16)6-12/h4-7H,8-9H2,1-3H3,(H,19,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 324.79 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 22196482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).