N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane

C16H19FN2O — CID 142010470

IUPACN-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane
SMILESC/C=C(\C)NC(=O)c1ccn(-c2ccccc2)c1.CF
InChIInChI=1S/C15H16N2O.CH3F/c1-3-12(2)16-15(18)13-9-10-17(11-13)14-7-5-4-6-8-14;1-2/h3-11H,1-2H3,(H,16,18);1H3/b12-3+;
InChIKeyOACWXIDKWOPKEP-QXKVDVGOSA-N
MW274.34 g/mol
LogP3.72
Rot. Bonds3

About N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane

N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane (PubChem CID 142010470) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane
PubChem CID142010470
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane
SMILESC/C=C(\C)NC(=O)c1ccn(-c2ccccc2)c1.CF
InChIInChI=1S/C15H16N2O.CH3F/c1-3-12(2)16-15(18)13-9-10-17(11-13)14-7-5-4-6-8-14;1-2/h3-11H,1-2H3,(H,16,18);1H3/b12-3+;
InChIKeyOACWXIDKWOPKEP-QXKVDVGOSA-N
XLogP3.72
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone
CID 5325964
N-[(E)-but-2-en-2-yl]naphthalene-2-carboxamide
CID 173494224
2-[3-(1-phenylpyrrole-3-carbonyl)pyrrol-1-yl]acetic acid
CID 11055491
N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 50854683
(1-phenylpyrrol-3-yl) acetate
CID 174955696
4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50854705
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-1-phenylpyrrole-3-carboxamide
CID 155754554
N-penta-1,3-dien-3-ylbenzamide
CID 76693459
1-pyridin-4-ylpyrrole-3-carboxylic acid
CID 143301463
N-cyano-1-pyridin-4-ylpyrrole-3-carboxamide
CID 143301131
N-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 143596637
1-methyl-N-phenylpyrrole-3-carboxamide
CID 110762710

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane?
The IUPAC name of N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane (CID 142010470) is N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane is C/C=C(\C)NC(=O)c1ccn(-c2ccccc2)c1.CF.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane?
The InChIKey is OACWXIDKWOPKEP-QXKVDVGOSA-N. The full InChI is InChI=1S/C15H16N2O.CH3F/c1-3-12(2)16-15(18)13-9-10-17(11-13)14-7-5-4-6-8-14;1-2/h3-11H,1-2H3,(H,16,18);1H3/b12-3+;.
What are the key properties of N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane?
N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane has a molecular weight of 274.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-1-phenylpyrrole-3-carboxamide;fluoromethane is sourced from PubChem (CID 142010470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).