N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide

C17H22N2O — CID 141301148

IUPACN-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCC(C)CC(C)c1ccccc1NC(=O)c1cc[nH]c1
InChIInChI=1S/C17H22N2O/c1-12(2)10-13(3)15-6-4-5-7-16(15)19-17(20)14-8-9-18-11-14/h4-9,11-13,18H,10H2,1-3H3,(H,19,20)
InChIKeyWIJJBCDXKQZKDA-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.42
Rot. Bonds5

About N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide

N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 141301148) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID141301148
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCC(C)CC(C)c1ccccc1NC(=O)c1cc[nH]c1
InChIInChI=1S/C17H22N2O/c1-12(2)10-13(3)15-6-4-5-7-16(15)19-17(20)14-8-9-18-11-14/h4-9,11-13,18H,10H2,1-3H3,(H,19,20)
InChIKeyWIJJBCDXKQZKDA-UHFFFAOYSA-N
XLogP4.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide
CID 123240476
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
3-chloro-N-[2-(4-methylpentan-2-yl)phenyl]thiophene-2-carboxamide
CID 86048853
5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
CID 141244949
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-chloro-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide
CID 143042044
2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-5-(trifluoromethyl)triazole-4-carboxamide
CID 142672745
4-(2-methylpropylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109058952
[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate
CID 41121356
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 959904

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide (CID 141301148) is N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide is CC(C)CC(C)c1ccccc1NC(=O)c1cc[nH]c1.
What is the InChIKey of N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is WIJJBCDXKQZKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)10-13(3)15-6-4-5-7-16(15)19-17(20)14-8-9-18-11-14/h4-9,11-13,18H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide?
N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 141301148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).