N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide

C26H25Cl2N3O3 — CID 67935960

IUPACN-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NN(C(=O)c2ccccc2-c2cccc(Cl)c2)C(C)(C)C)cc1Cl
InChIInChI=1S/C26H25Cl2N3O3/c1-16(32)29-23-13-12-18(15-22(23)28)24(33)30-31(26(2,3)4)25(34)21-11-6-5-10-20(21)17-8-7-9-19(27)14-17/h5-15H,1-4H3,(H,29,32)(H,30,33)
InChIKeyFIVYBPHXISMMEA-UHFFFAOYSA-N
MW498.41 g/mol
LogP6.20
Rot. Bonds4

About N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide

N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide (PubChem CID 67935960) has the molecular formula C26H25Cl2N3O3 and a molecular weight of 498.41 g/mol. Its IUPAC name is N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide
PubChem CID67935960
Molecular FormulaC26H25Cl2N3O3
Molecular Weight498.41 g/mol
Exact Mass497.13
IUPAC NameN-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NN(C(=O)c2ccccc2-c2cccc(Cl)c2)C(C)(C)C)cc1Cl
InChIInChI=1S/C26H25Cl2N3O3/c1-16(32)29-23-13-12-18(15-22(23)28)24(33)30-31(26(2,3)4)25(34)21-11-6-5-10-20(21)17-8-7-9-19(27)14-17/h5-15H,1-4H3,(H,29,32)(H,30,33)
InChIKeyFIVYBPHXISMMEA-UHFFFAOYSA-N
XLogP6.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.41
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea
CID 134114934
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
N-tert-butyl-2,5-dichloro-N'-(4-trimethylsilylbenzoyl)benzohydrazide
CID 67913113
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116
N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide
CID 57002219
N-tert-butyl-3,4-dichloro-N'-(4-chlorobenzoyl)benzohydrazide;trihydrochloride
CID 173294617
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
CID 70428217

Frequently Asked Questions

What is the IUPAC name of N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide (CID 67935960) is N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(C(=O)NN(C(=O)c2ccccc2-c2cccc(Cl)c2)C(C)(C)C)cc1Cl.
What is the InChIKey of N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide?
The InChIKey is FIVYBPHXISMMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O3/c1-16(32)29-23-13-12-18(15-22(23)28)24(33)30-31(26(2,3)4)25(34)21-11-6-5-10-20(21)17-8-7-9-19(27)14-17/h5-15H,1-4H3,(H,29,32)(H,30,33).
What are the key properties of N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide?
N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide has a molecular weight of 498.41 g/mol, XLogP of 6.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide is sourced from PubChem (CID 67935960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).