N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide

C19H19ClN2O2 — CID 90599873

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
SMILESCOC(C)(CNC(=O)c1cc2ccccc2[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c1-19(24-2,14-7-5-8-15(20)11-14)12-21-18(23)17-10-13-6-3-4-9-16(13)22-17/h3-11,22H,12H2,1-2H3,(H,21,23)
InChIKeyOSSIBNRTLAFFNN-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.11
Rot. Bonds5

About N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide (PubChem CID 90599873) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
PubChem CID90599873
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
SMILESCOC(C)(CNC(=O)c1cc2ccccc2[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c1-19(24-2,14-7-5-8-15(20)11-14)12-21-18(23)17-10-13-6-3-4-9-16(13)22-17/h3-11,22H,12H2,1-2H3,(H,21,23)
InChIKeyOSSIBNRTLAFFNN-UHFFFAOYSA-N
XLogP4.11
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599092
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
CID 90599957
N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide
CID 90599898
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide (CID 90599873) is N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide is COC(C)(CNC(=O)c1cc2ccccc2[nH]1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide?
The InChIKey is OSSIBNRTLAFFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-19(24-2,14-7-5-8-15(20)11-14)12-21-18(23)17-10-13-6-3-4-9-16(13)22-17/h3-11,22H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 90599873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).