(3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide

C28H29ClN2O — CID 93120110

IUPAC(3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide
SMILESCCc1cccc2c([C@H](CC(=O)NCc3ccccc3)c3ccc(Cl)cc3)cn(CC)c12
InChIInChI=1S/C28H29ClN2O/c1-3-21-11-8-12-24-26(19-31(4-2)28(21)24)25(22-13-15-23(29)16-14-22)17-27(32)30-18-20-9-6-5-7-10-20/h5-16,19,25H,3-4,17-18H2,1-2H3,(H,30,32)/t25-/m1/s1
InChIKeyCEWLFWBFCVTBEB-RUZDIDTESA-N
MW445.01 g/mol
LogP6.72
Rot. Bonds8

About (3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide

(3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide (PubChem CID 93120110) has the molecular formula C28H29ClN2O and a molecular weight of 445.01 g/mol. Its IUPAC name is (3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide
PubChem CID93120110
Molecular FormulaC28H29ClN2O
Molecular Weight445.01 g/mol
Exact Mass444.20
IUPAC Name(3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide
SMILESCCc1cccc2c([C@H](CC(=O)NCc3ccccc3)c3ccc(Cl)cc3)cn(CC)c12
InChIInChI=1S/C28H29ClN2O/c1-3-21-11-8-12-24-26(19-31(4-2)28(21)24)25(22-13-15-23(29)16-14-22)17-27(32)30-18-20-9-6-5-7-10-20/h5-16,19,25H,3-4,17-18H2,1-2H3,(H,30,32)/t25-/m1/s1
InChIKeyCEWLFWBFCVTBEB-RUZDIDTESA-N
XLogP6.72
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 ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98926923
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide
CID 93119883
3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42801286
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
CID 93119937
(3S)-3-(1-benzylindol-3-yl)-3-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98524903
(3R)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926939
(3S)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926938
3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)-N-(2-phenylethyl)propanamide
CID 42801311
3-(1-benzylindol-3-yl)-N-butyl-3-(3-chlorophenyl)propanamide
CID 42777994
(3R)-3-(1,7-diethylindol-3-yl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(3-phenoxyphenyl)propanamide
CID 129428058
3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42801362
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide?
The IUPAC name of (3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide (CID 93120110) is (3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide.
What is the SMILES notation for (3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide?
The canonical SMILES for (3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide is CCc1cccc2c([C@H](CC(=O)NCc3ccccc3)c3ccc(Cl)cc3)cn(CC)c12.
What is the InChIKey of (3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide?
The InChIKey is CEWLFWBFCVTBEB-RUZDIDTESA-N. The full InChI is InChI=1S/C28H29ClN2O/c1-3-21-11-8-12-24-26(19-31(4-2)28(21)24)25(22-13-15-23(29)16-14-22)17-27(32)30-18-20-9-6-5-7-10-20/h5-16,19,25H,3-4,17-18H2,1-2H3,(H,30,32)/t25-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide?
(3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide has a molecular weight of 445.01 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide is sourced from PubChem (CID 93120110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).