N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide

C17H20N2O2 — CID 3817065

IUPACN-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)c2ccccc2C)c[nH]1
InChIInChI=1S/C17H20N2O2/c1-4-12(3)19-17(21)15-9-13(10-18-15)16(20)14-8-6-5-7-11(14)2/h5-10,12,18H,4H2,1-3H3,(H,19,21)
InChIKeyIADIBTGRJBHBIH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.08
Rot. Bonds5

About N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide

N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide (PubChem CID 3817065) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide
PubChem CID3817065
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)c2ccccc2C)c[nH]1
InChIInChI=1S/C17H20N2O2/c1-4-12(3)19-17(21)15-9-13(10-18-15)16(20)14-8-6-5-7-11(14)2/h5-10,12,18H,4H2,1-3H3,(H,19,21)
InChIKeyIADIBTGRJBHBIH-UHFFFAOYSA-N
XLogP3.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-N-[(2S)-butan-2-yl]-1H-pyrrole-2-carboxamide
CID 40574070
N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide
CID 1485174
4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 3840272
4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
CID 43641940
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109044039
N-(dimethylaminomethylidene)-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide
CID 3787679
N-(butan-2-ylcarbamothioyl)-2-methylbenzamide
CID 17137466
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-[(2S)-1-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 99845714
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide (CID 3817065) is N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide is CCC(C)NC(=O)c1cc(C(=O)c2ccccc2C)c[nH]1.
What is the InChIKey of N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IADIBTGRJBHBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-12(3)19-17(21)15-9-13(10-18-15)16(20)14-8-6-5-7-11(14)2/h5-10,12,18H,4H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide?
N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3817065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).