1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

About 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 158260477) has the molecular formula C24H29F2N3O3 and a molecular weight of 445.51 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name	1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
PubChem CID	158260477
Molecular Formula	C24H29F2N3O3
Molecular Weight	445.51 g/mol
Exact Mass	445.22
IUPAC Name	1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
SMILES	Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CC[C@H](C)C3)n(CCF)c2C)ccc1F
InChI	InChI=1S/C24H29F2N3O3/c1-13-5-6-17(11-13)28-24(32)22(30)21-15(3)20(16(4)29(21)10-9-25)23(31)27-18-7-8-19(26)14(2)12-18/h7-8,12-13,17H,5-6,9-11H2,1-4H3,(H,27,31)(H,28,32)/t13-,17-/m0/s1
InChIKey	WDEKVQIDEKYLNR-GUYCJALGSA-N
XLogP	4.26
TPSA	80.20 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.51
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 158260477) is 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CC[C@H](C)C3)n(CCF)c2C)ccc1F.

What is the InChIKey of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is WDEKVQIDEKYLNR-GUYCJALGSA-N. The full InChI is InChI=1S/C24H29F2N3O3/c1-13-5-6-17(11-13)28-24(32)22(30)21-15(3)20(16(4)29(21)10-9-25)23(31)27-18-7-8-19(26)14(2)12-18/h7-8,12-13,17H,5-6,9-11H2,1-4H3,(H,27,31)(H,28,32)/t13-,17-/m0/s1.

What are the key properties of 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 445.51 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[[(1S,3S)-3-methylcyclopentyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 158260477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).