N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide

C22H22Cl2N2O2 — CID 92767741

IUPACN-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N[C@H]2CCc3[nH]c4cc(Cl)cc(Cl)c4c3C2)c1C
InChIInChI=1S/C22H22Cl2N2O2/c1-12-4-3-5-20(13(12)2)28-11-21(27)25-15-6-7-18-16(10-15)22-17(24)8-14(23)9-19(22)26-18/h3-5,8-9,15,26H,6-7,10-11H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyIIJGCVDXFUHBAY-HNNXBMFYSA-N
MW417.34 g/mol
LogP5.14
Rot. Bonds4

About N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide

N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 92767741) has the molecular formula C22H22Cl2N2O2 and a molecular weight of 417.34 g/mol. Its IUPAC name is N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID92767741
Molecular FormulaC22H22Cl2N2O2
Molecular Weight417.34 g/mol
Exact Mass416.11
IUPAC NameN-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N[C@H]2CCc3[nH]c4cc(Cl)cc(Cl)c4c3C2)c1C
InChIInChI=1S/C22H22Cl2N2O2/c1-12-4-3-5-20(13(12)2)28-11-21(27)25-15-6-7-18-16(10-15)22-17(24)8-14(23)9-19(22)26-18/h3-5,8-9,15,26H,6-7,10-11H2,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyIIJGCVDXFUHBAY-HNNXBMFYSA-N
XLogP5.14
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide with MolForge

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Related Compounds

N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide
CID 92762404
2-cyclopent-2-en-1-yl-N-(5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide
CID 46098139
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552807
N-(6-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(2-methylphenyl)acetamide
CID 46098102
2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580341
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097267
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
N-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 42656697
N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 108560809
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552797

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide (CID 92767741) is N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide is Cc1cccc(OCC(=O)N[C@H]2CCc3[nH]c4cc(Cl)cc(Cl)c4c3C2)c1C.
What is the InChIKey of N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is IIJGCVDXFUHBAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2/c1-12-4-3-5-20(13(12)2)28-11-21(27)25-15-6-7-18-16(10-15)22-17(24)8-14(23)9-19(22)26-18/h3-5,8-9,15,26H,6-7,10-11H2,1-2H3,(H,25,27)/t15-/m0/s1.
What are the key properties of N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide?
N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 417.34 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 92767741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).