N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide

C20H19ClN2O2 — CID 113209248

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H19ClN2O2/c1-12-9-17(18(25-2)10-15(12)21)23-19(24)20(7-8-20)14-11-22-16-6-4-3-5-13(14)16/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24)
InChIKeyNWGIOLANWLTJEZ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.81
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113209248) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113209248
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H19ClN2O2/c1-12-9-17(18(25-2)10-15(12)21)23-19(24)20(7-8-20)14-11-22-16-6-4-3-5-13(14)16/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24)
InChIKeyNWGIOLANWLTJEZ-UHFFFAOYSA-N
XLogP4.81
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209063
1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 113209182
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211157
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210851
methyl 2-[[1-(5-chloro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211013
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9382415
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
1-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113209258
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 113211162
N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209251

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113209248) is N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)C1(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is NWGIOLANWLTJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-12-9-17(18(25-2)10-15(12)21)23-19(24)20(7-8-20)14-11-22-16-6-4-3-5-13(14)16/h3-6,9-11,22H,7-8H2,1-2H3,(H,23,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113209248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).