4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide

C19H21ClN2O3 — CID 134039933

IUPAC4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
SMILESCc1ccc(OC(C)C(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13-3-9-17(10-4-13)25-14(2)18(23)21-11-12-22-19(24)15-5-7-16(20)8-6-15/h3-10,14H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySBEVJBDGYRCFIE-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.96
Rot. Bonds7

About 4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide

4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide (PubChem CID 134039933) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
PubChem CID134039933
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
SMILESCc1ccc(OC(C)C(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13-3-9-17(10-4-13)25-14(2)18(23)21-11-12-22-19(24)15-5-7-16(20)8-6-15/h3-10,14H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySBEVJBDGYRCFIE-UHFFFAOYSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[2-(4-chlorophenoxy)propanoylamino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108929802
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218257
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
N-[2-[2-(4-phenylphenoxy)propanoylamino]ethyl]benzamide
CID 46686897
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
N-(2-methoxyethyl)-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17218246
2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]propanoic acid
CID 68745701
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide (CID 134039933) is 4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide is Cc1ccc(OC(C)C(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide?
The InChIKey is SBEVJBDGYRCFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13-3-9-17(10-4-13)25-14(2)18(23)21-11-12-22-19(24)15-5-7-16(20)8-6-15/h3-10,14H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide?
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 134039933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).