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

C14H15ClN2O2 — CID 106385880

IUPAC3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NCc1cc[nH]c1
InChIInChI=1S/C14H15ClN2O2/c15-12-2-1-3-13(8-12)19-7-5-14(18)17-10-11-4-6-16-9-11/h1-4,6,8-9,16H,5,7,10H2,(H,17,18)
InChIKeyOAVZTNNTXCRPHO-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.75
Rot. Bonds6

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

3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106385880) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106385880
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NCc1cc[nH]c1
InChIInChI=1S/C14H15ClN2O2/c15-12-2-1-3-13(8-12)19-7-5-14(18)17-10-11-4-6-16-9-11/h1-4,6,8-9,16H,5,7,10H2,(H,17,18)
InChIKeyOAVZTNNTXCRPHO-UHFFFAOYSA-N
XLogP2.75
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110794136
2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 110782736
3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide
CID 66177946
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43428089
2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385571
3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55797955
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
CID 7959313
3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide
CID 51091552
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106385880) is 3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide is O=C(CCOc1cccc(Cl)c1)NCc1cc[nH]c1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is OAVZTNNTXCRPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-12-2-1-3-13(8-12)19-7-5-14(18)17-10-11-4-6-16-9-11/h1-4,6,8-9,16H,5,7,10H2,(H,17,18).
What are the key properties of 3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 278.74 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106385880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).