N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide

C24H19F2N3O2 — CID 46391848

IUPACN-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)NCc3cc(F)cc(F)c3)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H19F2N3O2/c1-14-6-8-16(9-7-14)23(30)29-21-19-4-2-3-5-20(19)28-22(21)24(31)27-13-15-10-17(25)12-18(26)11-15/h2-12,28H,13H2,1H3,(H,27,31)(H,29,30)
InChIKeyTZTOKGJHSIVAOX-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.94
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide

N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide (PubChem CID 46391848) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
PubChem CID46391848
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)NCc3cc(F)cc(F)c3)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H19F2N3O2/c1-14-6-8-16(9-7-14)23(30)29-21-19-4-2-3-5-20(19)28-22(21)24(31)27-13-15-10-17(25)12-18(26)11-15/h2-12,28H,13H2,1H3,(H,27,31)(H,29,30)
InChIKeyTZTOKGJHSIVAOX-UHFFFAOYSA-N
XLogP4.94
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide (CID 46391848) is N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide is Cc1ccc(C(=O)Nc2c(C(=O)NCc3cc(F)cc(F)c3)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide?
The InChIKey is TZTOKGJHSIVAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c1-14-6-8-16(9-7-14)23(30)29-21-19-4-2-3-5-20(19)28-22(21)24(31)27-13-15-10-17(25)12-18(26)11-15/h2-12,28H,13H2,1H3,(H,27,31)(H,29,30).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide?
N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 4.94, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 46391848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).