N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide

C16H19N3O2 — CID 110773570

IUPACN-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2cc(C)[nH]c2C)cc1
InChIInChI=1S/C16H19N3O2/c1-10-8-13(11(2)17-10)9-16(21)19-15-6-4-14(5-7-15)18-12(3)20/h4-8,17H,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDWQRAXAZKDOIRI-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.77
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide

N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide (PubChem CID 110773570) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide
PubChem CID110773570
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2cc(C)[nH]c2C)cc1
InChIInChI=1S/C16H19N3O2/c1-10-8-13(11(2)17-10)9-16(21)19-15-6-4-14(5-7-15)18-12(3)20/h4-8,17H,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDWQRAXAZKDOIRI-UHFFFAOYSA-N
XLogP2.77
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-phenylurea
CID 110641908
2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
CID 82490406
N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199133
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 110700119
N-(4-acetamidophenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768014
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
3-(4-acetamidoanilino)-3-oxopropanoic acid
CID 55049633
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide (CID 110773570) is N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cc2cc(C)[nH]c2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide?
The InChIKey is DWQRAXAZKDOIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-8-13(11(2)17-10)9-16(21)19-15-6-4-14(5-7-15)18-12(3)20/h4-8,17H,9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide?
N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 110773570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).