N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide

C27H26ClN3O3 — CID 162471120

IUPACN-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide
SMILESCc1cccc2c1NC(=O)C2CC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C27H26ClN3O3/c1-17-7-6-10-21-22(26(33)30-25(17)21)16-24(32)29-23(15-18-8-4-3-5-9-18)27(34)31(2)20-13-11-19(28)12-14-20/h3-14,22-23H,15-16H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyPBXVBKSKJQAFHZ-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.46
Rot. Bonds7

About N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide

N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide (PubChem CID 162471120) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide
PubChem CID162471120
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC NameN-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide
SMILESCc1cccc2c1NC(=O)C2CC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C27H26ClN3O3/c1-17-7-6-10-21-22(26(33)30-25(17)21)16-24(32)29-23(15-18-8-4-3-5-9-18)27(34)31(2)20-13-11-19(28)12-14-20/h3-14,22-23H,15-16H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyPBXVBKSKJQAFHZ-UHFFFAOYSA-N
XLogP4.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-N-methyl-N,3-diphenylpropanamide
CID 166790111
(2S)-N-(4-chlorophenyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide;(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N,3-diphenylpropanamide
CID 159703025
2-(benzenesulfinylcarbamoylamino)-N-(4-chlorophenyl)-N-methyl-3-phenylpropanamide
CID 144836008
(2S)-N-methyl-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-(4-methylphenyl)-3-phenylpropanamide
CID 161490663
(2S)-N-methyl-N,3-diphenyl-2-[[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]amino]propanamide
CID 71596203
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 71999049
N-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]-3-phenylpropanamide
CID 162471130
N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
CID 162471156
3-[4-[2-[[1-(4-chloro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-oxopiperazine-1-carbonyl]benzenesulfonyl fluoride
CID 166790097
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 119805944
N-[(1R)-1-[3-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 166315651

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide (CID 162471120) is N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide is Cc1cccc2c1NC(=O)C2CC(=O)NC(Cc1ccccc1)C(=O)N(C)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide?
The InChIKey is PBXVBKSKJQAFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-17-7-6-10-21-22(26(33)30-25(17)21)16-24(32)29-23(15-18-8-4-3-5-9-18)27(34)31(2)20-13-11-19(28)12-14-20/h3-14,22-23H,15-16H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide?
N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide has a molecular weight of 475.98 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-2-[[2-(7-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 162471120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).