N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide

C19H19ClN2O2 — CID 55871435

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C19H19ClN2O2/c1-21(12-14-10-15(20)8-9-18(14)24-3)19(23)17-11-13-6-4-5-7-16(13)22(17)2/h4-11H,12H2,1-3H3
InChIKeyCKJJIKWLMNBRPD-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.11
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide (PubChem CID 55871435) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide
PubChem CID55871435
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C19H19ClN2O2/c1-21(12-14-10-15(20)8-9-18(14)24-3)19(23)17-11-13-6-4-5-7-16(13)22(17)2/h4-11H,12H2,1-3H3
InChIKeyCKJJIKWLMNBRPD-UHFFFAOYSA-N
XLogP4.11
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide
CID 40686377
2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 110834916
N-[(5-chloro-2-methoxyphenyl)methyl]-N,3-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 154567902
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 55416097
2-(2-amino-2-oxoethoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762843
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55417929
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9183650
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(4-chlorophenyl)-N,2-dimethylpropanamide
CID 55870773
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 26726400
N-[(5-chloro-2-methoxyphenyl)methyl]-3-cyano-N-methylbenzamide
CID 30857850

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide (CID 55871435) is N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide is COc1ccc(Cl)cc1CN(C)C(=O)c1cc2ccccc2n1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide?
The InChIKey is CKJJIKWLMNBRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-21(12-14-10-15(20)8-9-18(14)24-3)19(23)17-11-13-6-4-5-7-16(13)22(17)2/h4-11H,12H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide is sourced from PubChem (CID 55871435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).