3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide

C24H21ClN2O — CID 35182064

IUPAC3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide
SMILESCc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H21ClN2O/c1-16-10-12-17(13-11-16)23(21-15-26-22-9-4-3-8-20(21)22)27(2)24(28)18-6-5-7-19(25)14-18/h3-15,23,26H,1-2H3/t23-/m0/s1
InChIKeyGYVUHVRQQHTAKZ-QHCPKHFHSA-N
MW388.90 g/mol
LogP5.99
Rot. Bonds4

About 3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide

3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide (PubChem CID 35182064) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide
PubChem CID35182064
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide
SMILESCc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H21ClN2O/c1-16-10-12-17(13-11-16)23(21-15-26-22-9-4-3-8-20(21)22)27(2)24(28)18-6-5-7-19(25)14-18/h3-15,23,26H,1-2H3/t23-/m0/s1
InChIKeyGYVUHVRQQHTAKZ-QHCPKHFHSA-N
XLogP5.99
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide (CID 35182064) is 3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide is Cc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide?
The InChIKey is GYVUHVRQQHTAKZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21ClN2O/c1-16-10-12-17(13-11-16)23(21-15-26-22-9-4-3-8-20(21)22)27(2)24(28)18-6-5-7-19(25)14-18/h3-15,23,26H,1-2H3/t23-/m0/s1.
What are the key properties of 3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide?
3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide has a molecular weight of 388.90 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 35182064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).