N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide

C15H19ClN4O — CID 107462794

IUPACN-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide
SMILESCCc1nn(C)cc1NCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H19ClN4O/c1-4-12-14(9-20(3)19-12)17-8-15(21)18-13-7-11(16)6-5-10(13)2/h5-7,9,17H,4,8H2,1-3H3,(H,18,21)
InChIKeyMMAPQCUFHHFWBF-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.99
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide (PubChem CID 107462794) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide
PubChem CID107462794
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide
SMILESCCc1nn(C)cc1NCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H19ClN4O/c1-4-12-14(9-20(3)19-12)17-8-15(21)18-13-7-11(16)6-5-10(13)2/h5-7,9,17H,4,8H2,1-3H3,(H,18,21)
InChIKeyMMAPQCUFHHFWBF-UHFFFAOYSA-N
XLogP2.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(4-methylphenyl)acetamide
CID 107462786
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
2-(2-chloro-5-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 107634645
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 107462966
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805280
N-[(5-chloro-2-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909085
2-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099221
N-(5-chloro-2-methylphenyl)-2-(2,3-difluoroanilino)acetamide
CID 61075932

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide (CID 107462794) is N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide is CCc1nn(C)cc1NCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide?
The InChIKey is MMAPQCUFHHFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-4-12-14(9-20(3)19-12)17-8-15(21)18-13-7-11(16)6-5-10(13)2/h5-7,9,17H,4,8H2,1-3H3,(H,18,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide has a molecular weight of 306.80 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide is sourced from PubChem (CID 107462794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).