1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide

C21H19ClN2O2 — CID 91652383

IUPAC1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)C1(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H19ClN2O2/c22-16-6-7-18-17(12-16)15(13-24-18)8-11-23-20(26)21(9-10-21)19(25)14-4-2-1-3-5-14/h1-7,12-13,24H,8-11H2,(H,23,26)
InChIKeyUCRNZWSQHUIGQQ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.14
Rot. Bonds6

About 1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide

1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 91652383) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID91652383
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)C1(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H19ClN2O2/c22-16-6-7-18-17(12-16)15(13-24-18)8-11-23-20(26)21(9-10-21)19(25)14-4-2-1-3-5-14/h1-7,12-13,24H,8-11H2,(H,23,26)
InChIKeyUCRNZWSQHUIGQQ-UHFFFAOYSA-N
XLogP4.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921753
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 110438172
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 66832116
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide
CID 66831985
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide (CID 91652383) is 1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is UCRNZWSQHUIGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-16-6-7-18-17(12-16)15(13-24-18)8-11-23-20(26)21(9-10-21)19(25)14-4-2-1-3-5-14/h1-7,12-13,24H,8-11H2,(H,23,26).
What are the key properties of 1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?
1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 91652383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).