3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide

C24H23ClN2O3 — CID 17221982

IUPAC3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)C(C)Oc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C24H23ClN2O3/c1-3-27(20-12-5-4-6-13-20)24(29)18-10-9-11-19(16-18)26-23(28)17(2)30-22-15-8-7-14-21(22)25/h4-17H,3H2,1-2H3,(H,26,28)
InChIKeyMBCXWXOVLANECJ-UHFFFAOYSA-N
MW422.91 g/mol
LogP5.41
Rot. Bonds7

About 3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide

3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide (PubChem CID 17221982) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide
PubChem CID17221982
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)C(C)Oc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C24H23ClN2O3/c1-3-27(20-12-5-4-6-13-20)24(29)18-10-9-11-19(16-18)26-23(28)17(2)30-22-15-8-7-14-21(22)25/h4-17H,3H2,1-2H3,(H,26,28)
InChIKeyMBCXWXOVLANECJ-UHFFFAOYSA-N
XLogP5.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17227762
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
CID 43908425
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670
N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17222182
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815218
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17222041
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838651
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 43886884
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide (CID 17221982) is 3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1cccc(NC(=O)C(C)Oc2ccccc2Cl)c1)c1ccccc1.
What is the InChIKey of 3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide?
The InChIKey is MBCXWXOVLANECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-3-27(20-12-5-4-6-13-20)24(29)18-10-9-11-19(16-18)26-23(28)17(2)30-22-15-8-7-14-21(22)25/h4-17H,3H2,1-2H3,(H,26,28).
What are the key properties of 3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide?
3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide has a molecular weight of 422.91 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 17221982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).