N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H23ClN4O2 — CID 38663684

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-12-14(13(2)23(4)21-12)9-10-18(25)22(3)11-17(24)20-16-8-6-5-7-15(16)19/h5-8H,9-11H2,1-4H3,(H,20,24)
InChIKeyBIVXGZWKMAPVRC-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.72
Rot. Bonds6

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 38663684) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID38663684
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-12-14(13(2)23(4)21-12)9-10-18(25)22(3)11-17(24)20-16-8-6-5-7-15(16)19/h5-8H,9-11H2,1-4H3,(H,20,24)
InChIKeyBIVXGZWKMAPVRC-UHFFFAOYSA-N
XLogP2.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41377657
N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-methylpropanamide
CID 9145710
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131890592
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 38661995
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037469
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 46673427
N-(2-chlorophenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 7799529
3-(2-chloro-4-methylphenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53086255
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 26065396
N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
CID 8988228

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 38663684) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is BIVXGZWKMAPVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-12-14(13(2)23(4)21-12)9-10-18(25)22(3)11-17(24)20-16-8-6-5-7-15(16)19/h5-8H,9-11H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 362.86 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 38663684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).