2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide

C19H19ClN2O3 — CID 4944066

IUPAC2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-3-12-21-19(24)16-6-4-5-7-17(16)22-18(23)13(2)25-15-10-8-14(20)9-11-15/h3-11,13H,1,12H2,2H3,(H,21,24)(H,22,23)
InChIKeyDQKTUVVBYZNHAX-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.66
Rot. Bonds7

About 2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide

2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide (PubChem CID 4944066) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide
PubChem CID4944066
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-3-12-21-19(24)16-6-4-5-7-17(16)22-18(23)13(2)25-15-10-8-14(20)9-11-15/h3-11,13H,1,12H2,2H3,(H,21,24)(H,22,23)
InChIKeyDQKTUVVBYZNHAX-UHFFFAOYSA-N
XLogP3.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4944061
2-[[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]amino]-N-prop-2-enylbenzamide
CID 38932839
N-(2-aminoethyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120604424
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
CID 42904434
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361278
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17354040
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide (CID 4944066) is 2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide?
The InChIKey is DQKTUVVBYZNHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-3-12-21-19(24)16-6-4-5-7-17(16)22-18(23)13(2)25-15-10-8-14(20)9-11-15/h3-11,13H,1,12H2,2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide?
2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide has a molecular weight of 358.83 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 4944066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).