4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide

C22H21ClN2O3 — CID 112837542

IUPAC4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)COc1cccc2ccccc12
InChIInChI=1S/C22H21ClN2O3/c1-14(2)24-22(27)18-11-10-16(23)12-19(18)25-21(26)13-28-20-9-5-7-15-6-3-4-8-17(15)20/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOAFKOKMZBNARIX-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.65
Rot. Bonds6

About 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide

4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide (PubChem CID 112837542) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide
PubChem CID112837542
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)COc1cccc2ccccc12
InChIInChI=1S/C22H21ClN2O3/c1-14(2)24-22(27)18-11-10-16(23)12-19(18)25-21(26)13-28-20-9-5-7-15-6-3-4-8-17(15)20/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOAFKOKMZBNARIX-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide 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

2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 119283724
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
2-(2,5-dichlorophenoxy)-N-naphthalen-1-ylacetamide
CID 19167989
2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
CID 55807341
2-methyl-N-[3-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]propanamide
CID 21213308
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 55807308
4-chloro-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55877331
N-propan-2-yl-2-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetyl]amino]benzamide
CID 100502815
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17188944
N-(5-chloro-2-methylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770477
N-(4-bromo-2-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 1325558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide (CID 112837542) is 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)COc1cccc2ccccc12.
What is the InChIKey of 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is OAFKOKMZBNARIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-14(2)24-22(27)18-11-10-16(23)12-19(18)25-21(26)13-28-20-9-5-7-15-6-3-4-8-17(15)20/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide?
4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 396.87 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 112837542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).