N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C17H17ClN2O — CID 76895013

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C17H17ClN2O/c1-20(11-12-6-8-14(18)9-7-12)17(21)16-10-13-4-2-3-5-15(13)19-16/h2-9,16,19H,10-11H2,1H3
InChIKeyBIOHLZRFQFBIPM-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.34
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76895013) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76895013
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C17H17ClN2O/c1-20(11-12-6-8-14(18)9-7-12)17(21)16-10-13-4-2-3-5-15(13)19-16/h2-9,16,19H,10-11H2,1H3
InChIKeyBIOHLZRFQFBIPM-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61162686
(2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155770
(2S)-N-[(2-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61163671
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76894872
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76894617
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155725
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid
CID 76914230
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 64517494
N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 112659062

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 76895013) is N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is BIOHLZRFQFBIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-20(11-12-6-8-14(18)9-7-12)17(21)16-10-13-4-2-3-5-15(13)19-16/h2-9,16,19H,10-11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76895013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).