3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide

C28H29ClN2O — CID 3468833

IUPAC3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CC(c1cccc(Cl)c1)c1cn(Cc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C28H29ClN2O/c1-3-15-30-28(32)17-25(22-7-6-8-23(29)16-22)26-19-31(27-10-5-4-9-24(26)27)18-21-13-11-20(2)12-14-21/h4-14,16,19,25H,3,15,17-18H2,1-2H3,(H,30,32)
InChIKeyBXGXYWOIRDHURW-UHFFFAOYSA-N
MW445.01 g/mol
LogP6.70
Rot. Bonds8

About 3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide

3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide (PubChem CID 3468833) has the molecular formula C28H29ClN2O and a molecular weight of 445.01 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide
PubChem CID3468833
Molecular FormulaC28H29ClN2O
Molecular Weight445.01 g/mol
Exact Mass444.20
IUPAC Name3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CC(c1cccc(Cl)c1)c1cn(Cc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C28H29ClN2O/c1-3-15-30-28(32)17-25(22-7-6-8-23(29)16-22)26-19-31(27-10-5-4-9-24(26)27)18-21-13-11-20(2)12-14-21/h4-14,16,19,25H,3,15,17-18H2,1-2H3,(H,30,32)
InChIKeyBXGXYWOIRDHURW-UHFFFAOYSA-N
XLogP6.70
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.01
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzylindol-3-yl)-N-butyl-3-(3-chlorophenyl)propanamide
CID 42777994
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-propylpropanamide
CID 92961416
(3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide
CID 93114899
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
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide
CID 93002169
3-(1-benzylindol-3-yl)-N-(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 42774906
(3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
CID 93114906
N-(2-methoxyethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83287622
(3R)-N-[(2S)-butan-2-yl]-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 93012491
3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 3481488
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide
CID 5000823

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide?
The IUPAC name of 3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide (CID 3468833) is 3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide?
The canonical SMILES for 3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide is CCCNC(=O)CC(c1cccc(Cl)c1)c1cn(Cc2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide?
The InChIKey is BXGXYWOIRDHURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O/c1-3-15-30-28(32)17-25(22-7-6-8-23(29)16-22)26-19-31(27-10-5-4-9-24(26)27)18-21-13-11-20(2)12-14-21/h4-14,16,19,25H,3,15,17-18H2,1-2H3,(H,30,32).
What are the key properties of 3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide?
3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide has a molecular weight of 445.01 g/mol, XLogP of 6.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide is sourced from PubChem (CID 3468833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).