N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide

C27H26Cl2N2O — CID 155965116

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide
SMILESC[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C27H26Cl2N2O/c1-19(21-9-14-24(29)15-10-21)30(2)27(32)16-11-22-18-31(26-6-4-3-5-25(22)26)17-20-7-12-23(28)13-8-20/h3-10,12-15,18-19H,11,16-17H2,1-2H3/t19-/m1/s1
InChIKeyDQHFRJIHAJICFY-LJQANCHMSA-N
MW465.42 g/mol
LogP7.15
Rot. Bonds7

About N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide (PubChem CID 155965116) has the molecular formula C27H26Cl2N2O and a molecular weight of 465.42 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide
PubChem CID155965116
Molecular FormulaC27H26Cl2N2O
Molecular Weight465.42 g/mol
Exact Mass464.14
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide
SMILESC[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C27H26Cl2N2O/c1-19(21-9-14-24(29)15-10-21)30(2)27(32)16-11-22-18-31(26-6-4-3-5-25(22)26)17-20-7-12-23(28)13-8-20/h3-10,12-15,18-19H,11,16-17H2,1-2H3/t19-/m1/s1
InChIKeyDQHFRJIHAJICFY-LJQANCHMSA-N
XLogP7.15
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.42
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899811
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(2-methylpyrazol-3-yl)propanamide
CID 146123537
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333
1-(1-benzylindol-3-yl)-4-ethylsulfinylpentan-3-one
CID 71397780
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate
CID 41108922
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
N-[1-(4-chlorophenyl)ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylpropanamide
CID 86944243
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide (CID 155965116) is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide is C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide?
The InChIKey is DQHFRJIHAJICFY-LJQANCHMSA-N. The full InChI is InChI=1S/C27H26Cl2N2O/c1-19(21-9-14-24(29)15-10-21)30(2)27(32)16-11-22-18-31(26-6-4-3-5-25(22)26)17-20-7-12-23(28)13-8-20/h3-10,12-15,18-19H,11,16-17H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide has a molecular weight of 465.42 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide is sourced from PubChem (CID 155965116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).