2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide

C25H20Cl2N4O2 — CID 21369217

IUPAC2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C25H20Cl2N4O2/c1-15-23(16(2)31(30-15)20-9-4-3-5-10-20)29-24(32)17-7-6-8-19(13-17)28-25(33)21-12-11-18(26)14-22(21)27/h3-14H,1-2H3,(H,28,33)(H,29,32)
InChIKeyRAENBRZEFMBKGV-UHFFFAOYSA-N
MW479.37 g/mol
LogP6.30
Rot. Bonds5

About 2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide

2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide (PubChem CID 21369217) has the molecular formula C25H20Cl2N4O2 and a molecular weight of 479.37 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide
PubChem CID21369217
Molecular FormulaC25H20Cl2N4O2
Molecular Weight479.37 g/mol
Exact Mass478.10
IUPAC Name2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C25H20Cl2N4O2/c1-15-23(16(2)31(30-15)20-9-4-3-5-10-20)29-24(32)17-7-6-8-19(13-17)28-25(33)21-12-11-18(26)14-22(21)27/h3-14H,1-2H3,(H,28,33)(H,29,32)
InChIKeyRAENBRZEFMBKGV-UHFFFAOYSA-N
XLogP6.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.37
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(propanoylamino)benzamide
CID 21369239
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
5-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-nitrobenzamide
CID 16960970
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349
5-chloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-2-fluorobenzamide
CID 46615911
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium
CID 10833066
2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
CID 16575328
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide (CID 21369217) is 2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide?
The InChIKey is RAENBRZEFMBKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O2/c1-15-23(16(2)31(30-15)20-9-4-3-5-10-20)29-24(32)17-7-6-8-19(13-17)28-25(33)21-12-11-18(26)14-22(21)27/h3-14H,1-2H3,(H,28,33)(H,29,32).
What are the key properties of 2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide?
2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide has a molecular weight of 479.37 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 21369217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).