3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide

C18H16Cl2N2O2 — CID 60543987

IUPAC3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide
SMILESCOC(CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccccc1
InChIInChI=1S/C18H16Cl2N2O2/c1-24-15(11-5-3-2-4-6-11)10-21-18(23)17-16(20)13-9-12(19)7-8-14(13)22-17/h2-9,15,22H,10H2,1H3,(H,21,23)
InChIKeyVARGXZTVTPXFTH-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.59
Rot. Bonds5

About 3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide

3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 60543987) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide
PubChem CID60543987
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide
SMILESCOC(CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccccc1
InChIInChI=1S/C18H16Cl2N2O2/c1-24-15(11-5-3-2-4-6-11)10-21-18(23)17-16(20)13-9-12(19)7-8-14(13)22-17/h2-9,15,22H,10H2,1H3,(H,21,23)
InChIKeyVARGXZTVTPXFTH-UHFFFAOYSA-N
XLogP4.59
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide
CID 55644479
3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
CID 110900787
3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide
CID 111520117
3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
CID 166187794
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide
CID 87033246
3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 60544817
3,5-dichloro-N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide
CID 55967482
1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176792
3-[(3,5-dichloro-1H-indole-2-carbonyl)-ethylamino]propanoic acid
CID 119191758
methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate
CID 142664195
2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide (CID 60543987) is 3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide is COC(CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)c1ccccc1.
What is the InChIKey of 3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is VARGXZTVTPXFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-24-15(11-5-3-2-4-6-11)10-21-18(23)17-16(20)13-9-12(19)7-8-14(13)22-17/h2-9,15,22H,10H2,1H3,(H,21,23).
What are the key properties of 3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide?
3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 60543987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).