1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide

About 1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide

1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide (PubChem CID 145343855) has the molecular formula C25H32F2N4O4 and a molecular weight of 490.55 g/mol. Its IUPAC name is 1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name	1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
PubChem CID	145343855
Molecular Formula	C25H32F2N4O4
Molecular Weight	490.55 g/mol
Exact Mass	490.24
IUPAC Name	1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
SMILES	CC1CCC(F)C(F)C1.O=CC(CC1CCNC1=O)NC(=O)CNC(=O)c1cc2ccccc2[nH]1
InChI	InChI=1S/C18H20N4O4.C7H12F2/c23-10-13(7-12-5-6-19-17(12)25)21-16(24)9-20-18(26)15-8-11-3-1-2-4-14(11)22-15;1-5-2-3-6(8)7(9)4-5/h1-4,8,10,12-13,22H,5-7,9H2,(H,19,25)(H,20,26)(H,21,24);5-7H,2-4H2,1H3
InChIKey	ZUZJMFWPOKWTEL-UHFFFAOYSA-N
XLogP	2.59
TPSA	120.16 Å²
H-Bond Donors	4
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.55
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?

The IUPAC name of 1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide (CID 145343855) is 1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?

The canonical SMILES for 1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide is CC1CCC(F)C(F)C1.O=CC(CC1CCNC1=O)NC(=O)CNC(=O)c1cc2ccccc2[nH]1.

What is the InChIKey of 1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?

The InChIKey is ZUZJMFWPOKWTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4.C7H12F2/c23-10-13(7-12-5-6-19-17(12)25)21-16(24)9-20-18(26)15-8-11-3-1-2-4-14(11)22-15;1-5-2-3-6(8)7(9)4-5/h1-4,8,10,12-13,22H,5-7,9H2,(H,19,25)(H,20,26)(H,21,24);5-7H,2-4H2,1H3.

What are the key properties of 1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?

1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide has a molecular weight of 490.55 g/mol, XLogP of 2.59, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 145343855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).