4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide

C16H19ClN2O — CID 70785091

IUPAC4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NCCn1cccc1
InChIInChI=1S/C16H19ClN2O/c17-15-8-6-14(7-9-15)4-3-5-16(20)18-10-13-19-11-1-2-12-19/h1-2,6-9,11-12H,3-5,10,13H2,(H,18,20)
InChIKeyVTSNTIYOLWWSFV-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.28
Rot. Bonds7

About 4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide

4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide (PubChem CID 70785091) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide
PubChem CID70785091
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NCCn1cccc1
InChIInChI=1S/C16H19ClN2O/c17-15-8-6-14(7-9-15)4-3-5-16(20)18-10-13-19-11-1-2-12-19/h1-2,6-9,11-12H,3-5,10,13H2,(H,18,20)
InChIKeyVTSNTIYOLWWSFV-UHFFFAOYSA-N
XLogP3.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide
CID 3236679
N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide
CID 20880518
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea
CID 110747680
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108542670
1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
CID 70718129

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide (CID 70785091) is 4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide is O=C(CCCc1ccc(Cl)cc1)NCCn1cccc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide?
The InChIKey is VTSNTIYOLWWSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-15-8-6-14(7-9-15)4-3-5-16(20)18-10-13-19-11-1-2-12-19/h1-2,6-9,11-12H,3-5,10,13H2,(H,18,20).
What are the key properties of 4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide?
4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide has a molecular weight of 290.79 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide is sourced from PubChem (CID 70785091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).