2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide

C30H31Cl2N5O2 — CID 4303891

IUPAC2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C30H31Cl2N5O2/c1-4-5-16-36(30(39)33-24-13-9-12-23(31)29(24)32)19-28(38)34-27-18-25(22-10-7-6-8-11-22)35-37(27)26-15-14-20(2)17-21(26)3/h6-15,17-18H,4-5,16,19H2,1-3H3,(H,33,39)(H,34,38)
InChIKeySFDJLYKHSMQDQT-UHFFFAOYSA-N
MW564.52 g/mol
LogP7.74
Rot. Bonds9

About 2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide

2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide (PubChem CID 4303891) has the molecular formula C30H31Cl2N5O2 and a molecular weight of 564.52 g/mol. Its IUPAC name is 2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
PubChem CID4303891
Molecular FormulaC30H31Cl2N5O2
Molecular Weight564.52 g/mol
Exact Mass563.19
IUPAC Name2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1C)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C30H31Cl2N5O2/c1-4-5-16-36(30(39)33-24-13-9-12-23(31)29(24)32)19-28(38)34-27-18-25(22-10-7-6-8-11-22)35-37(27)26-15-14-20(2)17-21(26)3/h6-15,17-18H,4-5,16,19H2,1-3H3,(H,33,39)(H,34,38)
InChIKeySFDJLYKHSMQDQT-UHFFFAOYSA-N
XLogP7.74
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.52
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5176068
2-[(3-chloro-4-fluorophenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3965940
2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3682849
N-butyl-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylbenzamide
CID 42740847
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbutanamide
CID 42733696
N-butyl-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 4654805
2-[benzylcarbamoyl(butyl)amino]-N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 42740979
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(2,3-dichlorophenyl)carbamoyl-ethylamino]acetamide
CID 4008723
2-[butyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3376227
N-butyl-3-chloro-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 3515023
N-butyl-N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 42740852
2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5040656

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide (CID 4303891) is 2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide is CCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1C)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide?
The InChIKey is SFDJLYKHSMQDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl2N5O2/c1-4-5-16-36(30(39)33-24-13-9-12-23(31)29(24)32)19-28(38)34-27-18-25(22-10-7-6-8-11-22)35-37(27)26-15-14-20(2)17-21(26)3/h6-15,17-18H,4-5,16,19H2,1-3H3,(H,33,39)(H,34,38).
What are the key properties of 2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide?
2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide has a molecular weight of 564.52 g/mol, XLogP of 7.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 4303891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).