N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide

C21H21N3O2 — CID 139003405

IUPACN-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide
SMILESCNC(=O)c1cccc(CCNC(=O)c2c[nH]cc2-c2ccccc2)c1
InChIInChI=1S/C21H21N3O2/c1-22-20(25)17-9-5-6-15(12-17)10-11-24-21(26)19-14-23-13-18(19)16-7-3-2-4-8-16/h2-9,12-14,23H,10-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyLQWKNIFGEKNSLG-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.01
Rot. Bonds6

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

N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 139003405) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide
PubChem CID139003405
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide
SMILESCNC(=O)c1cccc(CCNC(=O)c2c[nH]cc2-c2ccccc2)c1
InChIInChI=1S/C21H21N3O2/c1-22-20(25)17-9-5-6-15(12-17)10-11-24-21(26)19-14-23-13-18(19)16-7-3-2-4-8-16/h2-9,12-14,23H,10-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyLQWKNIFGEKNSLG-UHFFFAOYSA-N
XLogP3.01
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide
CID 139014474
N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide
CID 120593008
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
CID 120593007
3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111136027
3-[2-[[N-[3-(benzylamino)-3-oxopropyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633471
3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
CID 63795110
4-[2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]ethyl]benzoic acid
CID 120512961
N-methyl-3-[2-[[N'-methyl-N-(2-naphthalen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111631991
3-ethyl-N-methylbenzamide
CID 59115297
N-methyl-3-[2-[[N'-methyl-N-(2-phenylsulfanylethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111631805

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide (CID 139003405) is N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide is CNC(=O)c1cccc(CCNC(=O)c2c[nH]cc2-c2ccccc2)c1.
What is the InChIKey of N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is LQWKNIFGEKNSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-22-20(25)17-9-5-6-15(12-17)10-11-24-21(26)19-14-23-13-18(19)16-7-3-2-4-8-16/h2-9,12-14,23H,10-11H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide?
N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 139003405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).