N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide

C20H19ClN2O2 — CID 97426181

IUPACN-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1
InChIInChI=1S/C20H19ClN2O2/c1-25-13-10-8-12(9-11-13)20(24)22-17-7-3-5-15-14-4-2-6-16(21)18(14)23-19(15)17/h2,4,6,8-11,17,23H,3,5,7H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyGDAWXNSRYSIQPY-KRWDZBQOSA-N
MW354.84 g/mol
LogP4.64
Rot. Bonds3

About N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide

N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide (PubChem CID 97426181) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide
PubChem CID97426181
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1
InChIInChI=1S/C20H19ClN2O2/c1-25-13-10-8-12(9-11-13)20(24)22-17-7-3-5-15-14-4-2-6-16(21)18(14)23-19(15)17/h2,4,6,8-11,17,23H,3,5,7H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyGDAWXNSRYSIQPY-KRWDZBQOSA-N
XLogP4.64
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide
CID 97425903
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3,4-dimethoxybenzamide
CID 71829149
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97425428
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide
CID 97425394
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide
CID 97425395
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 97425983
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide
CID 75489736
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97496454
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(6-methyl-4-oxopyran-3-yl)oxyacetamide
CID 126418019
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 71828982
(2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 125124025
5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
CID 125432343

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide?
The IUPAC name of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide (CID 97426181) is N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1.
What is the InChIKey of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide?
The InChIKey is GDAWXNSRYSIQPY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-25-13-10-8-12(9-11-13)20(24)22-17-7-3-5-15-14-4-2-6-16(21)18(14)23-19(15)17/h2,4,6,8-11,17,23H,3,5,7H2,1H3,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide?
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide has a molecular weight of 354.84 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide is sourced from PubChem (CID 97426181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).