2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide

C12H13Cl2NO2 — CID 115636700

IUPAC2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
SMILESC=C(Cl)CNC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C12H13Cl2NO2/c1-8(13)7-15-12(16)9(2)17-11-6-4-3-5-10(11)14/h3-6,9H,1,7H2,2H3,(H,15,16)
InChIKeyGIWVUQZXBQRUJB-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.98
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide

2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide (PubChem CID 115636700) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
PubChem CID115636700
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
SMILESC=C(Cl)CNC(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C12H13Cl2NO2/c1-8(13)7-15-12(16)9(2)17-11-6-4-3-5-10(11)14/h3-6,9H,1,7H2,2H3,(H,15,16)
InChIKeyGIWVUQZXBQRUJB-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111460590
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114505
4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid
CID 103152889
(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 28635676

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide (CID 115636700) is 2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide is C=C(Cl)CNC(=O)C(C)Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide?
The InChIKey is GIWVUQZXBQRUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-8(13)7-15-12(16)9(2)17-11-6-4-3-5-10(11)14/h3-6,9H,1,7H2,2H3,(H,15,16).
What are the key properties of 2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide?
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide has a molecular weight of 274.15 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide is sourced from PubChem (CID 115636700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).