2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide

C14H15ClN2O2 — CID 106385458

IUPAC2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C14H15ClN2O2/c1-10(19-13-4-2-12(15)3-5-13)14(18)17-9-11-6-7-16-8-11/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyHYWRJGXUUCVOBL-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.75
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide

2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106385458) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106385458
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C14H15ClN2O2/c1-10(19-13-4-2-12(15)3-5-13)14(18)17-9-11-6-7-16-8-11/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyHYWRJGXUUCVOBL-UHFFFAOYSA-N
XLogP2.75
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385142
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282388
(2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 95934284
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
(2S)-2-(4-chlorophenoxy)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100645893
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106385458) is 2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is HYWRJGXUUCVOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10(19-13-4-2-12(15)3-5-13)14(18)17-9-11-6-7-16-8-11/h2-8,10,16H,9H2,1H3,(H,17,18).
What are the key properties of 2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 278.74 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106385458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).