2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide

C19H21ClN2O4 — CID 43908435

IUPAC2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O4/c1-13(26-15-7-5-6-14(20)12-15)18(23)22-17-9-4-3-8-16(17)19(24)21-10-11-25-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNZECRICNKHCQHG-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.12
Rot. Bonds8

About 2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide

2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 43908435) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
PubChem CID43908435
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O4/c1-13(26-15-7-5-6-14(20)12-15)18(23)22-17-9-4-3-8-16(17)19(24)21-10-11-25-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNZECRICNKHCQHG-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92685505
2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 94595467
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
2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 132666482
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-methoxypropyl)benzamide
CID 17148367
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide (CID 43908435) is 2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is NZECRICNKHCQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-13(26-15-7-5-6-14(20)12-15)18(23)22-17-9-4-3-8-16(17)19(24)21-10-11-25-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide?
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 376.84 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 43908435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).