2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide

C18H23ClN4O2 — CID 34747067

IUPAC2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(C)cc2C)cc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-5-22(6-2)18(25)15-8-7-14(10-16(15)19)20-17(24)11-23-13(4)9-12(3)21-23/h7-10H,5-6,11H2,1-4H3,(H,20,24)
InChIKeyYYNPBKMOHKTTHX-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.27
Rot. Bonds6

About 2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide

2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 34747067) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide
PubChem CID34747067
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(C)cc2C)cc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-5-22(6-2)18(25)15-8-7-14(10-16(15)19)20-17(24)11-23-13(4)9-12(3)21-23/h7-10H,5-6,11H2,1-4H3,(H,20,24)
InChIKeyYYNPBKMOHKTTHX-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide
CID 119712519
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-fluorobenzoic acid
CID 103791396
2-chloro-N,N-diethyl-4-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetyl]amino]benzamide
CID 55673151
2-chloro-N,N-diethyl-4-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzamide
CID 87045223
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
CID 43648219
2-chloro-N,N-diethyl-4-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 34745595
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 112802201
1-(3-chloro-4-fluorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786354
2-chloro-N,N-diethyl-4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzamide
CID 55673325
2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 34746028
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide (CID 34747067) is 2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(C)cc2C)cc1Cl.
What is the InChIKey of 2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is YYNPBKMOHKTTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-5-22(6-2)18(25)15-8-7-14(10-16(15)19)20-17(24)11-23-13(4)9-12(3)21-23/h7-10H,5-6,11H2,1-4H3,(H,20,24).
What are the key properties of 2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide?
2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 362.86 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 34747067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).