1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide

C20H19ClN2O — CID 110438172

IUPAC1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H19ClN2O/c21-16-5-3-4-15(12-16)20(9-10-20)19(24)22-11-8-14-13-23-18-7-2-1-6-17(14)18/h1-7,12-13,23H,8-11H2,(H,22,24)
InChIKeyGSHINIDCCLJJHU-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.21
Rot. Bonds5

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

1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 110438172) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID110438172
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H19ClN2O/c21-16-5-3-4-15(12-16)20(9-10-20)19(24)22-11-8-14-13-23-18-7-2-1-6-17(14)18/h1-7,12-13,23H,8-11H2,(H,22,24)
InChIKeyGSHINIDCCLJJHU-UHFFFAOYSA-N
XLogP4.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 110438229
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 71885829
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 90504363
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 113214463
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide
CID 55559275
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119547500

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide (CID 110438172) is 1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is GSHINIDCCLJJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-16-5-3-4-15(12-16)20(9-10-20)19(24)22-11-8-14-13-23-18-7-2-1-6-17(14)18/h1-7,12-13,23H,8-11H2,(H,22,24).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110438172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).