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

C21H21ClN2O3 — CID 97425903

IUPACN-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1OC
InChIInChI=1S/C21H21ClN2O3/c1-26-17-10-9-12(11-18(17)27-2)21(25)23-16-8-4-6-14-13-5-3-7-15(22)19(13)24-20(14)16/h3,5,7,9-11,16,24H,4,6,8H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyKWIDNVMRGUQRHA-INIZCTEOSA-N
MW384.86 g/mol
LogP4.65
Rot. Bonds4

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

N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide (PubChem CID 97425903) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide
PubChem CID97425903
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1OC
InChIInChI=1S/C21H21ClN2O3/c1-26-17-10-9-12(11-18(17)27-2)21(25)23-16-8-4-6-14-13-5-3-7-15(22)19(13)24-20(14)16/h3,5,7,9-11,16,24H,4,6,8H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyKWIDNVMRGUQRHA-INIZCTEOSA-N
XLogP4.65
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3,4-dimethoxybenzamide
CID 71829149
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide
CID 97426181
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-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-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(6-methyl-4-oxopyran-3-yl)oxyacetamide
CID 126418019
4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 121239141
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
(2R)-N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 125124025
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide (CID 97425903) is N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1OC.
What is the InChIKey of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide?
The InChIKey is KWIDNVMRGUQRHA-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-26-17-10-9-12(11-18(17)27-2)21(25)23-16-8-4-6-14-13-5-3-7-15(22)19(13)24-20(14)16/h3,5,7,9-11,16,24H,4,6,8H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide?
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3,4-dimethoxybenzamide has a molecular weight of 384.86 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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]-3,4-dimethoxybenzamide is sourced from PubChem (CID 97425903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).