N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide

C19H18N2O — CID 90645921

IUPACN-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c[nH]cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N2O/c1-13-3-5-15(6-4-13)18-11-20-12-19(18)16-7-9-17(10-8-16)21-14(2)22/h3-12,20H,1-2H3,(H,21,22)
InChIKeyPVGAYUJDCSUJRK-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.62
Rot. Bonds3

About N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide

N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide (PubChem CID 90645921) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide
PubChem CID90645921
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c[nH]cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N2O/c1-13-3-5-15(6-4-13)18-11-20-12-19(18)16-7-9-17(10-8-16)21-14(2)22/h3-12,20H,1-2H3,(H,21,22)
InChIKeyPVGAYUJDCSUJRK-UHFFFAOYSA-N
XLogP4.62
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylphenyl)acetamide
CID 7684
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide
CID 90645918
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
CID 174682832
CID 174682832
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-(4-phenylphenyl)acetamide
CID 19998
N-phenylacetamide;toluene
CID 175205531
N-[2,6-bis(4-methylphenyl)phenyl]acetamide
CID 11278492
N-[4-(6-methyl-1H-indol-2-yl)phenyl]acetamide
CID 91585636

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide (CID 90645921) is N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2c[nH]cc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide?
The InChIKey is PVGAYUJDCSUJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-3-5-15(6-4-13)18-11-20-12-19(18)16-7-9-17(10-8-16)21-14(2)22/h3-12,20H,1-2H3,(H,21,22).
What are the key properties of N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide has a molecular weight of 290.37 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 90645921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).