N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide

C21H22FN3O — CID 170695699

IUPACN-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc(F)cc2)[nH]c1-c1ccccc1
InChIInChI=1S/C21H22FN3O/c1-25(2)13-12-23-21(26)18-14-19(15-8-10-17(22)11-9-15)24-20(18)16-6-4-3-5-7-16/h3-11,14,24H,12-13H2,1-2H3,(H,23,26)
InChIKeyHETJABNWXLCSQO-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 170695699) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide
PubChem CID170695699
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc(F)cc2)[nH]c1-c1ccccc1
InChIInChI=1S/C21H22FN3O/c1-25(2)13-12-23-21(26)18-14-19(15-8-10-17(22)11-9-15)24-20(18)16-6-4-3-5-7-16/h3-11,14,24H,12-13H2,1-2H3,(H,23,26)
InChIKeyHETJABNWXLCSQO-UHFFFAOYSA-N
XLogP3.78
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 170695675
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824388
5-(4-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-1H-pyrrole-3-carboxamide
CID 170695643
N-[2-(dimethylamino)ethyl]-2-(2-nitrophenyl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 170695670
N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 22518262
N-[2-(dimethylamino)ethyl]-2-methoxy-5-phenylbenzamide
CID 110408034
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 170695556
5-(4-cyanophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-1H-pyrrole-3-carboxamide
CID 170695712
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide (CID 170695699) is N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccc(F)cc2)[nH]c1-c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is HETJABNWXLCSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-25(2)13-12-23-21(26)18-14-19(15-8-10-17(22)11-9-15)24-20(18)16-6-4-3-5-7-16/h3-11,14,24H,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 170695699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).