N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide

C20H19ClN2O3 — CID 56530719

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C20H19ClN2O3/c1-25-12-13-26-19-7-3-2-6-16(19)20(24)22-17-9-8-15(21)14-18(17)23-10-4-5-11-23/h2-11,14H,12-13H2,1H3,(H,22,24)
InChIKeyFETQAARNRLOSOS-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.41
Rot. Bonds7

About N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide

N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide (PubChem CID 56530719) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide
PubChem CID56530719
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C20H19ClN2O3/c1-25-12-13-26-19-7-3-2-6-16(19)20(24)22-17-9-8-15(21)14-18(17)23-10-4-5-11-23/h2-11,14H,12-13H2,1H3,(H,22,24)
InChIKeyFETQAARNRLOSOS-UHFFFAOYSA-N
XLogP4.41
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-methoxybenzamide
CID 56530750
N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355875
N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954259
N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954394
4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide
CID 56530341
N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355885
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide
CID 56582460
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 17355950
N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide
CID 56530685

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide (CID 56530719) is N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide is COCCOc1ccccc1C(=O)Nc1ccc(Cl)cc1-n1cccc1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide?
The InChIKey is FETQAARNRLOSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-25-12-13-26-19-7-3-2-6-16(19)20(24)22-17-9-8-15(21)14-18(17)23-10-4-5-11-23/h2-11,14H,12-13H2,1H3,(H,22,24).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide has a molecular weight of 370.84 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 56530719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).