N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide

C16H19ClN2O2 — CID 56530387

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C16H19ClN2O2/c1-2-21-11-5-6-16(20)18-14-8-7-13(17)12-15(14)19-9-3-4-10-19/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,18,20)
InChIKeyROJBNQAXENJYIZ-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.89
Rot. Bonds7

About N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide

N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide (PubChem CID 56530387) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide
PubChem CID56530387
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C16H19ClN2O2/c1-2-21-11-5-6-16(20)18-14-8-7-13(17)12-15(14)19-9-3-4-10-19/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,18,20)
InChIKeyROJBNQAXENJYIZ-UHFFFAOYSA-N
XLogP3.89
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide
CID 56530685
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 56582587
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56530498
N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide
CID 103891151
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide
CID 56530719
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
CID 81003248
3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 120610429
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide
CID 56535926
4-ethoxy-N-phenylbutanamide
CID 112728021

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide (CID 56530387) is N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide is CCOCCCC(=O)Nc1ccc(Cl)cc1-n1cccc1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide?
The InChIKey is ROJBNQAXENJYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-2-21-11-5-6-16(20)18-14-8-7-13(17)12-15(14)19-9-3-4-10-19/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,18,20).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide has a molecular weight of 306.79 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide is sourced from PubChem (CID 56530387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).