3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide

C27H27ClN2O — CID 20899830

IUPAC3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide
SMILESO=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NCCCc1ccccc1
InChIInChI=1S/C27H27ClN2O/c28-25-14-6-4-12-23(25)20-30-19-22(24-13-5-7-15-26(24)30)16-17-27(31)29-18-8-11-21-9-2-1-3-10-21/h1-7,9-10,12-15,19H,8,11,16-18,20H2,(H,29,31)
InChIKeyQADYUHGHSRJUFA-UHFFFAOYSA-N
MW430.98 g/mol
LogP6.02
Rot. Bonds9

About 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide

3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide (PubChem CID 20899830) has the molecular formula C27H27ClN2O and a molecular weight of 430.98 g/mol. Its IUPAC name is 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide
PubChem CID20899830
Molecular FormulaC27H27ClN2O
Molecular Weight430.98 g/mol
Exact Mass430.18
IUPAC Name3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide
SMILESO=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NCCCc1ccccc1
InChIInChI=1S/C27H27ClN2O/c28-25-14-6-4-12-23(25)20-30-19-22(24-13-5-7-15-26(24)30)16-17-27(31)29-18-8-11-21-9-2-1-3-10-21/h1-7,9-10,12-15,19H,8,11,16-18,20H2,(H,29,31)
InChIKeyQADYUHGHSRJUFA-UHFFFAOYSA-N
XLogP6.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 56.02
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

3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 20899970
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 5059595
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]acetic acid
CID 28599809
2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylamino]acetic acid
CID 66528039
4-(benzenesulfinyl)-N-[2-(1-benzylindol-3-yl)ethyl]butanamide
CID 15550783
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20900039
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
CID 20899972
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide (CID 20899830) is 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide is O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NCCCc1ccccc1.
What is the InChIKey of 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide?
The InChIKey is QADYUHGHSRJUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O/c28-25-14-6-4-12-23(25)20-30-19-22(24-13-5-7-15-26(24)30)16-17-27(31)29-18-8-11-21-9-2-1-3-10-21/h1-7,9-10,12-15,19H,8,11,16-18,20H2,(H,29,31).
What are the key properties of 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide?
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide has a molecular weight of 430.98 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 20899830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).