N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide

C28H29FN2O — CID 86603049

IUPACN-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide
SMILESCC(C)(C)c1ccc(CN(CCc2ccc(F)cc2)C(=O)c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C28H29FN2O/c1-28(2,3)23-11-7-21(8-12-23)19-31(18-16-20-9-13-24(29)14-10-20)27(32)25-6-4-5-22-15-17-30-26(22)25/h4-15,17,30H,16,18-19H2,1-3H3
InChIKeyITDCSIITIGAKTP-UHFFFAOYSA-N
MW428.55 g/mol
LogP6.49
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide

N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide (PubChem CID 86603049) has the molecular formula C28H29FN2O and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide
PubChem CID86603049
Molecular FormulaC28H29FN2O
Molecular Weight428.55 g/mol
Exact Mass428.23
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide
SMILESCC(C)(C)c1ccc(CN(CCc2ccc(F)cc2)C(=O)c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C28H29FN2O/c1-28(2,3)23-11-7-21(8-12-23)19-31(18-16-20-9-13-24(29)14-10-20)27(32)25-6-4-5-22-15-17-30-26(22)25/h4-15,17,30H,16,18-19H2,1-3H3
InChIKeyITDCSIITIGAKTP-UHFFFAOYSA-N
XLogP6.49
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.55
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-difluorophenyl)ethyl]-1H-indole-7-carboxamide
CID 86603067
N-[(4-tert-butylphenyl)methyl]-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1H-indole-7-carboxamide
CID 86603090
N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]quinoline-8-carboxamide
CID 66788632
N-[(4-tert-butylphenyl)methyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-indole-7-carboxamide
CID 69346543
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-1H-indole-7-carboxamide
CID 86603089
N-[(4-tert-butylphenyl)methyl]-4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-7-carboxamide
CID 86603128
N-[(4-tert-butylphenyl)methyl]-5-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide
CID 91010489
N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide
CID 91616648
N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 24760562
N-[(4-tert-butylphenyl)methyl]-N-[2-(3-chloro-4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 24760410
N-[(4-tert-butylphenyl)methyl]-5-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide;N-[(4-tert-butylphenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 160619672
N-[(4-tert-butylphenyl)methyl]-N-[3-(4-fluorophenyl)propyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 24951387

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide (CID 86603049) is N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide is CC(C)(C)c1ccc(CN(CCc2ccc(F)cc2)C(=O)c2cccc3cc[nH]c23)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide?
The InChIKey is ITDCSIITIGAKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O/c1-28(2,3)23-11-7-21(8-12-23)19-31(18-16-20-9-13-24(29)14-10-20)27(32)25-6-4-5-22-15-17-30-26(22)25/h4-15,17,30H,16,18-19H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide?
N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 86603049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).