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

C15H17ClN2O — CID 56530685

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C15H17ClN2O/c1-2-3-6-15(19)17-13-8-7-12(16)11-14(13)18-9-4-5-10-18/h4-5,7-11H,2-3,6H2,1H3,(H,17,19)
InChIKeyWAOBHJNIJRYDMO-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.26
Rot. Bonds5

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

N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide (PubChem CID 56530685) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide
PubChem CID56530685
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C15H17ClN2O/c1-2-3-6-15(19)17-13-8-7-12(16)11-14(13)18-9-4-5-10-18/h4-5,7-11H,2-3,6H2,1H3,(H,17,19)
InChIKeyWAOBHJNIJRYDMO-UHFFFAOYSA-N
XLogP4.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide
CID 56530387
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
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-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(4-nitrophenyl)acetamide
CID 56535926
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 56530291
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 86904057
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide (CID 56530685) is N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide is CCCCC(=O)Nc1ccc(Cl)cc1-n1cccc1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide?
The InChIKey is WAOBHJNIJRYDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-3-6-15(19)17-13-8-7-12(16)11-14(13)18-9-4-5-10-18/h4-5,7-11H,2-3,6H2,1H3,(H,17,19).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide has a molecular weight of 276.77 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide is sourced from PubChem (CID 56530685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).