N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide

C20H19ClN2O2 — CID 113211787

IUPACN-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3c(C)[nH]c4ccccc34)CC2)cc1Cl
InChIInChI=1S/C20H19ClN2O2/c1-12-18(14-5-3-4-6-16(14)22-12)20(9-10-20)19(24)23-13-7-8-17(25-2)15(21)11-13/h3-8,11,22H,9-10H2,1-2H3,(H,23,24)
InChIKeyYIJGYEAMSGMKAJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.81
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113211787) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113211787
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3c(C)[nH]c4ccccc34)CC2)cc1Cl
InChIInChI=1S/C20H19ClN2O2/c1-12-18(14-5-3-4-6-16(14)22-12)20(9-10-20)19(24)23-13-7-8-17(25-2)15(21)11-13/h3-8,11,22H,9-10H2,1-2H3,(H,23,24)
InChIKeyYIJGYEAMSGMKAJ-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-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211833
1-(2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113211760
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4908651
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982906
N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439021
1-N'-(3-chloro-4-methoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975139
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333
1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide
CID 100676610
N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905483
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113211787) is N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(c3c(C)[nH]c4ccccc34)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is YIJGYEAMSGMKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-12-18(14-5-3-4-6-16(14)22-12)20(9-10-20)19(24)23-13-7-8-17(25-2)15(21)11-13/h3-8,11,22H,9-10H2,1-2H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-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-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113211787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).