N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide

C17H16F2N2O2 — CID 58091131

IUPACN-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
SMILESO=C(CCC1CC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O2/c18-11-2-1-3-12(19)15(11)17(23)21-13-8-9-20-16(13)14(22)7-6-10-4-5-10/h1-3,8,10H,4-7,9H2,(H,21,23)
InChIKeySOPZDXBRCAITFE-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.79
Rot. Bonds6

About N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide

N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide (PubChem CID 58091131) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
PubChem CID58091131
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
SMILESO=C(CCC1CC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O2/c18-11-2-1-3-12(19)15(11)17(23)21-13-8-9-20-16(13)14(22)7-6-10-4-5-10/h1-3,8,10H,4-7,9H2,(H,21,23)
InChIKeySOPZDXBRCAITFE-UHFFFAOYSA-N
XLogP2.79
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 58091066
ethyl 4-[2-[4-[(2,6-difluorobenzoyl)amino]-2H-pyrrol-5-yl]-2-oxoethyl]cyclohexane-1-carboxylate
CID 58091084
2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide
CID 58091087
2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide
CID 58091118
N-(4-tert-butylcyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide
CID 58094697
2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide
CID 59156532
N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 59156534
2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide
CID 59156538
4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide
CID 59156543
N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 59156549
4-[2-[4-[(2,6-difluorobenzoyl)amino]-2H-pyrrol-5-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 68191953
N-[(E)-5-(cyclopropylmethylamino)-4-methylimino-5-oxopent-2-en-3-yl]-2,6-difluorobenzamide
CID 88267083

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide (CID 58091131) is N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide is O=C(CCC1CC1)C1=NCC=C1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
The InChIKey is SOPZDXBRCAITFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-11-2-1-3-12(19)15(11)17(23)21-13-8-9-20-16(13)14(22)7-6-10-4-5-10/h1-3,8,10H,4-7,9H2,(H,21,23).
What are the key properties of N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide?
N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide has a molecular weight of 318.32 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 58091131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).