4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide

C21H25ClN2O3 — CID 52662482

IUPAC4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)c1
InChIInChI=1S/C21H25ClN2O3/c1-13(2)23-21(26)16-5-6-18(22)19(12-16)24-20(25)7-8-27-17-10-14(3)9-15(4)11-17/h5-6,9-13H,7-8H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyFFBILPXTPOWKHK-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.50
Rot. Bonds7

About 4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide

4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 52662482) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
PubChem CID52662482
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)c1
InChIInChI=1S/C21H25ClN2O3/c1-13(2)23-21(26)16-5-6-18(22)19(12-16)24-20(25)7-8-27-17-10-14(3)9-15(4)11-17/h5-6,9-13H,7-8H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyFFBILPXTPOWKHK-UHFFFAOYSA-N
XLogP4.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 17034684
N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide
CID 108802815
4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide
CID 60532091
3-[5-(4-bromophenyl)pentanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55895332
4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide
CID 47062886
4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 47049795
N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503450
4-chloro-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]-N-propan-2-ylbenzamide
CID 60532069
4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 94141178
2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218262
3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 35504455
4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 87026803

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide (CID 52662482) is 4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide is Cc1cc(C)cc(OCCC(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is FFBILPXTPOWKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-13(2)23-21(26)16-5-6-18(22)19(12-16)24-20(25)7-8-27-17-10-14(3)9-15(4)11-17/h5-6,9-13H,7-8H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide?
4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 388.90 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 52662482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).