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

C18H15BrN2O — CID 90645918

IUPACN-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c[nH]cc2-c2cccc(Br)c2)cc1
InChIInChI=1S/C18H15BrN2O/c1-12(22)21-16-7-5-13(6-8-16)17-10-20-11-18(17)14-3-2-4-15(19)9-14/h2-11,20H,1H3,(H,21,22)
InChIKeyLXSVVERNVNHJGM-UHFFFAOYSA-N
MW355.24 g/mol
LogP5.07
Rot. Bonds3

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

N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide (PubChem CID 90645918) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide
PubChem CID90645918
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC NameN-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c[nH]cc2-c2cccc(Br)c2)cc1
InChIInChI=1S/C18H15BrN2O/c1-12(22)21-16-7-5-13(6-8-16)17-10-20-11-18(17)14-3-2-4-15(19)9-14/h2-11,20H,1H3,(H,21,22)
InChIKeyLXSVVERNVNHJGM-UHFFFAOYSA-N
XLogP5.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.24
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide
CID 90645921
N-[4-(3-bromobenzoyl)phenyl]acetamide
CID 43337929
N-(4-phenylphenyl)acetamide
CID 19998
CID 174682832
CID 174682832
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765
N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide
CID 118529604
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
N-[4-(3-methylphenyl)phenyl]acetamide;propane
CID 142236943
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide (CID 90645918) is N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2c[nH]cc2-c2cccc(Br)c2)cc1.
What is the InChIKey of N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide?
The InChIKey is LXSVVERNVNHJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c1-12(22)21-16-7-5-13(6-8-16)17-10-20-11-18(17)14-3-2-4-15(19)9-14/h2-11,20H,1H3,(H,21,22).
What are the key properties of N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide has a molecular weight of 355.24 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-bromophenyl)-1H-pyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 90645918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).