3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide

C19H21ClN2O2 — CID 108571437

IUPAC3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
SMILESCC(C)c1ccc(C(=O)NCCNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)14-6-8-15(9-7-14)18(23)21-10-11-22-19(24)16-4-3-5-17(20)12-16/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRMUBBSUMXDICHK-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.62
Rot. Bonds6

About 3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide

3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 108571437) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
PubChem CID108571437
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
SMILESCC(C)c1ccc(C(=O)NCCNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)14-6-8-15(9-7-14)18(23)21-10-11-22-19(24)16-4-3-5-17(20)12-16/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRMUBBSUMXDICHK-UHFFFAOYSA-N
XLogP3.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide 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

3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide
CID 113100237
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
3-chloro-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108539503
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride
CID 18531817
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
3-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539491
3-chloro-N-propan-2-ylbenzamide
CID 669184

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide (CID 108571437) is 3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide is CC(C)c1ccc(C(=O)NCCNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is RMUBBSUMXDICHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(2)14-6-8-15(9-7-14)18(23)21-10-11-22-19(24)16-4-3-5-17(20)12-16/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide?
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 344.84 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108571437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).