4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide

C23H19ClN2O — CID 8019643

IUPAC4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O/c24-18-12-10-17(11-13-18)23(27)26-14-20(16-6-2-1-3-7-16)21-15-25-22-9-5-4-8-19(21)22/h1-13,15,20,25H,14H2,(H,26,27)/t20-/m0/s1
InChIKeyKEMUPQLUNRDIPB-FQEVSTJZSA-N
MW374.87 g/mol
LogP5.38
Rot. Bonds5

About 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide

4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide (PubChem CID 8019643) has the molecular formula C23H19ClN2O and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
PubChem CID8019643
Molecular FormulaC23H19ClN2O
Molecular Weight374.87 g/mol
Exact Mass374.12
IUPAC Name4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O/c24-18-12-10-17(11-13-18)23(27)26-14-20(16-6-2-1-3-7-16)21-15-25-22-9-5-4-8-19(21)22/h1-13,15,20,25H,14H2,(H,26,27)/t20-/m0/s1
InChIKeyKEMUPQLUNRDIPB-FQEVSTJZSA-N
XLogP5.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 2489680
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46692237
2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129896
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637
2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243574
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide (CID 8019643) is 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide is O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
The InChIKey is KEMUPQLUNRDIPB-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19ClN2O/c24-18-12-10-17(11-13-18)23(27)26-14-20(16-6-2-1-3-7-16)21-15-25-22-9-5-4-8-19(21)22/h1-13,15,20,25H,14H2,(H,26,27)/t20-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide?
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 8019643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).