N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide

C28H33FN2O — CID 71024492

IUPACN,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide
SMILESO=C(c1cn(Cc2ccccc2F)c2ccccc12)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H33FN2O/c29-26-17-9-7-11-21(26)19-30-20-25(24-16-8-10-18-27(24)30)28(32)31(22-12-3-1-4-13-22)23-14-5-2-6-15-23/h7-11,16-18,20,22-23H,1-6,12-15,19H2
InChIKeyOSLQGNFGPZPYCF-UHFFFAOYSA-N
MW432.58 g/mol
LogP6.94
Rot. Bonds5

About N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide

N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide (PubChem CID 71024492) has the molecular formula C28H33FN2O and a molecular weight of 432.58 g/mol. Its IUPAC name is N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide
PubChem CID71024492
Molecular FormulaC28H33FN2O
Molecular Weight432.58 g/mol
Exact Mass432.26
IUPAC NameN,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide
SMILESO=C(c1cn(Cc2ccccc2F)c2ccccc12)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H33FN2O/c29-26-17-9-7-11-21(26)19-30-20-25(24-16-8-10-18-27(24)30)28(32)31(22-12-3-1-4-13-22)23-14-5-2-6-15-23/h7-11,16-18,20,22-23H,1-6,12-15,19H2
InChIKeyOSLQGNFGPZPYCF-UHFFFAOYSA-N
XLogP6.94
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.58
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide (CID 71024492) is N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide is O=C(c1cn(Cc2ccccc2F)c2ccccc12)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide?
The InChIKey is OSLQGNFGPZPYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O/c29-26-17-9-7-11-21(26)19-30-20-25(24-16-8-10-18-27(24)30)28(32)31(22-12-3-1-4-13-22)23-14-5-2-6-15-23/h7-11,16-18,20,22-23H,1-6,12-15,19H2.
What are the key properties of N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide?
N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide has a molecular weight of 432.58 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 71024492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).