(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide

C30H33FN2O — CID 93002169

IUPAC(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)C[C@H](c1ccc(F)cc1)c1cn(Cc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C30H33FN2O/c1-3-4-7-18-32-30(34)19-27(24-14-16-25(31)17-15-24)28-21-33(29-9-6-5-8-26(28)29)20-23-12-10-22(2)11-13-23/h5-6,8-17,21,27H,3-4,7,18-20H2,1-2H3,(H,32,34)/t27-/m1/s1
InChIKeyWZNCMOPNAAKXSO-HHHXNRCGSA-N
MW456.61 g/mol
LogP6.97
Rot. Bonds10

About (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide

(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide (PubChem CID 93002169) has the molecular formula C30H33FN2O and a molecular weight of 456.61 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide
PubChem CID93002169
Molecular FormulaC30H33FN2O
Molecular Weight456.61 g/mol
Exact Mass456.26
IUPAC Name(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)C[C@H](c1ccc(F)cc1)c1cn(Cc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C30H33FN2O/c1-3-4-7-18-32-30(34)19-27(24-14-16-25(31)17-15-24)28-21-33(29-9-6-5-8-26(28)29)20-23-12-10-22(2)11-13-23/h5-6,8-17,21,27H,3-4,7,18-20H2,1-2H3,(H,32,34)/t27-/m1/s1
InChIKeyWZNCMOPNAAKXSO-HHHXNRCGSA-N
XLogP6.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-propylpropanamide
CID 92961416
3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3880798
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-propyl-3-thiophen-3-ylpropanamide
CID 42774268
3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide
CID 3468833
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)-3-(3-methylphenyl)propanamide
CID 4252671
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide
CID 5000823
3-(1-benzylindol-3-yl)-N-butyl-3-(3-chlorophenyl)propanamide
CID 42777994
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967
3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
CID 5140407
(3S)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
CID 92961932

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide (CID 93002169) is (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide is CCCCCNC(=O)C[C@H](c1ccc(F)cc1)c1cn(Cc2ccc(C)cc2)c2ccccc12.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide?
The InChIKey is WZNCMOPNAAKXSO-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H33FN2O/c1-3-4-7-18-32-30(34)19-27(24-14-16-25(31)17-15-24)28-21-33(29-9-6-5-8-26(28)29)20-23-12-10-22(2)11-13-23/h5-6,8-17,21,27H,3-4,7,18-20H2,1-2H3,(H,32,34)/t27-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide?
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide has a molecular weight of 456.61 g/mol, XLogP of 6.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide is sourced from PubChem (CID 93002169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).