4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide

C22H27ClN2O3 — CID 17196176

IUPAC4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-4-14-25(15-5-2)22(27)17-6-10-19(11-7-17)24-21(26)16(3)28-20-12-8-18(23)9-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,26)
InChIKeyRGQDXFMSFFRCFY-UHFFFAOYSA-N
MW402.92 g/mol
LogP5.01
Rot. Bonds9

About 4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide

4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide (PubChem CID 17196176) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide
PubChem CID17196176
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-4-14-25(15-5-2)22(27)17-6-10-19(11-7-17)24-21(26)16(3)28-20-12-8-18(23)9-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,26)
InChIKeyRGQDXFMSFFRCFY-UHFFFAOYSA-N
XLogP5.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.92
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-ethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196211
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 8503969
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218257
(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide
CID 7935749

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide (CID 17196176) is 4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide?
The InChIKey is RGQDXFMSFFRCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-4-14-25(15-5-2)22(27)17-6-10-19(11-7-17)24-21(26)16(3)28-20-12-8-18(23)9-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,26).
What are the key properties of 4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide?
4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide has a molecular weight of 402.92 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide is sourced from PubChem (CID 17196176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).