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

C14H15ClN2O2 — CID 95934284

IUPAC(2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc[nH]1
InChIInChI=1S/C14H15ClN2O2/c1-10(19-13-6-4-11(15)5-7-13)14(18)17-9-12-3-2-8-16-12/h2-8,10,16H,9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyFFELHMXYYGBKTJ-SNVBAGLBSA-N
MW278.74 g/mol
LogP2.75
Rot. Bonds5

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

(2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide (PubChem CID 95934284) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide
PubChem CID95934284
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc[nH]1
InChIInChI=1S/C14H15ClN2O2/c1-10(19-13-6-4-11(15)5-7-13)14(18)17-9-12-3-2-8-16-12/h2-8,10,16H,9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyFFELHMXYYGBKTJ-SNVBAGLBSA-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

2-(4-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385458
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282388
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145731
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide (CID 95934284) is (2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc[nH]1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide?
The InChIKey is FFELHMXYYGBKTJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10(19-13-6-4-11(15)5-7-13)14(18)17-9-12-3-2-8-16-12/h2-8,10,16H,9H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide?
(2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-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 (2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide is sourced from PubChem (CID 95934284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).