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

C23H21Cl3N4O2 — CID 55805216

IUPAC2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C23H21Cl3N4O2/c1-12-18(13(2)30(29-12)16-6-8-19(24)21(26)10-16)11-22(31)27-15-5-7-17(20(25)9-15)23(32)28-14-3-4-14/h5-10,14H,3-4,11H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyVXQOWEOBGADDRJ-UHFFFAOYSA-N
MW491.81 g/mol
LogP5.52
Rot. Bonds6

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

2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide (PubChem CID 55805216) has the molecular formula C23H21Cl3N4O2 and a molecular weight of 491.81 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide
PubChem CID55805216
Molecular FormulaC23H21Cl3N4O2
Molecular Weight491.81 g/mol
Exact Mass490.07
IUPAC Name2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C23H21Cl3N4O2/c1-12-18(13(2)30(29-12)16-6-8-19(24)21(26)10-16)11-22(31)27-15-5-7-17(20(25)9-15)23(32)28-14-3-4-14/h5-10,14H,3-4,11H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyVXQOWEOBGADDRJ-UHFFFAOYSA-N
XLogP5.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.81
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-methylbenzamide
CID 38965635
4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide
CID 56518026
2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 55805084
N-(2-anilino-2-oxoethyl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55958417
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 38977433
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 39033208
N-(1-amino-2-methylpropan-2-yl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119524492
methyl 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381106
2-chloro-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119164233
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide
CID 56559323
2-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119225822

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide (CID 55805216) is 2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide is Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide?
The InChIKey is VXQOWEOBGADDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N4O2/c1-12-18(13(2)30(29-12)16-6-8-19(24)21(26)10-16)11-22(31)27-15-5-7-17(20(25)9-15)23(32)28-14-3-4-14/h5-10,14H,3-4,11H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide?
2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide has a molecular weight of 491.81 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 55805216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).