N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide

C27H26ClN3O2 — CID 24503109

IUPACN-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C27H26ClN3O2/c1-18-8-2-3-9-19(18)27(33)29-15-14-26(32)31-17-22(20-10-4-6-12-24(20)28)23-16-30-25-13-7-5-11-21(23)25/h2-13,16,22,30H,14-15,17H2,1H3,(H,29,33)(H,31,32)
InChIKeyVLSYJLASIUYHAK-UHFFFAOYSA-N
MW459.98 g/mol
LogP5.20
Rot. Bonds8

About N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide

N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 24503109) has the molecular formula C27H26ClN3O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
PubChem CID24503109
Molecular FormulaC27H26ClN3O2
Molecular Weight459.98 g/mol
Exact Mass459.17
IUPAC NameN-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C27H26ClN3O2/c1-18-8-2-3-9-19(18)27(33)29-15-14-26(32)31-17-22(20-10-4-6-12-24(20)28)23-16-30-25-13-7-5-11-21(23)25/h2-13,16,22,30H,14-15,17H2,1H3,(H,29,33)(H,31,32)
InChIKeyVLSYJLASIUYHAK-UHFFFAOYSA-N
XLogP5.20
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.98
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
ethyl 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
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N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
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CID 55405860
2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
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2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 2410230
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
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N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
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2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 134028769
N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide (CID 24503109) is N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is VLSYJLASIUYHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O2/c1-18-8-2-3-9-19(18)27(33)29-15-14-26(32)31-17-22(20-10-4-6-12-24(20)28)23-16-30-25-13-7-5-11-21(23)25/h2-13,16,22,30H,14-15,17H2,1H3,(H,29,33)(H,31,32).
What are the key properties of N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 459.98 g/mol, XLogP of 5.20, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 24503109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).