(3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide

C22H23ClN6O2 — CID 97264717

IUPAC(3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C[C@@H](Cn3cnnn3)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C22H23ClN6O2/c1-31-19-6-7-21-20(11-19)16(12-25-21)8-9-24-22(30)10-17(13-29-14-26-27-28-29)15-2-4-18(23)5-3-15/h2-7,11-12,14,17,25H,8-10,13H2,1H3,(H,24,30)/t17-/m0/s1
InChIKeyNGCLBWFRNYUGLC-KRWDZBQOSA-N
MW438.92 g/mol
LogP3.35
Rot. Bonds9

About (3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide

(3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 97264717) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide
PubChem CID97264717
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name(3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C[C@@H](Cn3cnnn3)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C22H23ClN6O2/c1-31-19-6-7-21-20(11-19)16(12-25-21)8-9-24-22(30)10-17(13-29-14-26-27-28-29)15-2-4-18(23)5-3-15/h2-7,11-12,14,17,25H,8-10,13H2,1H3,(H,24,30)/t17-/m0/s1
InChIKeyNGCLBWFRNYUGLC-KRWDZBQOSA-N
XLogP3.35
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide with MolForge

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Related Compounds

ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 23605243
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 26651
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;2,3-dihydroxybutanedioic acid
CID 23619193
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide
CID 118986107
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;2,3-dihydroxybutanedioate
CID 23619192
2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733787
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 71754681
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide (CID 97264717) is (3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide is COc1ccc2[nH]cc(CCNC(=O)C[C@@H](Cn3cnnn3)c3ccc(Cl)cc3)c2c1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is NGCLBWFRNYUGLC-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-31-19-6-7-21-20(11-19)16(12-25-21)8-9-24-22(30)10-17(13-29-14-26-27-28-29)15-2-4-18(23)5-3-15/h2-7,11-12,14,17,25H,8-10,13H2,1H3,(H,24,30)/t17-/m0/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide?
(3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 438.92 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 97264717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).