N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide

C15H17ClN2O — CID 3236679

IUPACN-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c16-14-5-3-13(4-6-14)7-9-17-15(19)8-12-18-10-1-2-11-18/h1-6,10-11H,7-9,12H2,(H,17,19)
InChIKeyBRITYZAWEHTZAW-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.89
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide

N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide (PubChem CID 3236679) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide
PubChem CID3236679
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c16-14-5-3-13(4-6-14)7-9-17-15(19)8-12-18-10-1-2-11-18/h1-6,10-11H,7-9,12H2,(H,17,19)
InChIKeyBRITYZAWEHTZAW-UHFFFAOYSA-N
XLogP2.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 70785091
N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide
CID 20880518
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113202301
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377766
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[2-(4-chlorophenyl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 5156985
N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9453956

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide (CID 3236679) is N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide is O=C(CCn1cccc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is BRITYZAWEHTZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-14-5-3-13(4-6-14)7-9-17-15(19)8-12-18-10-1-2-11-18/h1-6,10-11H,7-9,12H2,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide?
N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 276.77 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3236679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).