6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide

C18H17ClN2O3 — CID 113207547

IUPAC6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1OC
InChIInChI=1S/C18H17ClN2O3/c1-23-16-6-3-11(7-17(16)24-2)10-20-18(22)15-8-12-4-5-13(19)9-14(12)21-15/h3-9,21H,10H2,1-2H3,(H,20,22)
InChIKeyIGSADPPYBMDVNP-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.77
Rot. Bonds5

About 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide

6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 113207547) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID113207547
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1OC
InChIInChI=1S/C18H17ClN2O3/c1-23-16-6-3-11(7-17(16)24-2)10-20-18(22)15-8-12-4-5-13(19)9-14(12)21-15/h3-9,21H,10H2,1-2H3,(H,20,22)
InChIKeyIGSADPPYBMDVNP-UHFFFAOYSA-N
XLogP3.77
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207545
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166373419
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
N-[[3-(3-amino-5-chlorophenoxy)-4-chlorophenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 89218665
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 113207547) is 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide is COc1ccc(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1OC.
What is the InChIKey of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is IGSADPPYBMDVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-23-16-6-3-11(7-17(16)24-2)10-20-18(22)15-8-12-4-5-13(19)9-14(12)21-15/h3-9,21H,10H2,1-2H3,(H,20,22).
What are the key properties of 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 113207547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).