N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide

C17H17ClN2O — CID 80571757

IUPACN-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
SMILESO=C(CC1CNc2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-7-5-12(6-8-14)10-20-17(21)9-13-11-19-16-4-2-1-3-15(13)16/h1-8,13,19H,9-11H2,(H,20,21)
InChIKeyQYCZLWIVZJCMNS-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.56
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide (PubChem CID 80571757) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
PubChem CID80571757
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
SMILESO=C(CC1CNc2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-7-5-12(6-8-14)10-20-17(21)9-13-11-19-16-4-2-1-3-15(13)16/h1-8,13,19H,9-11H2,(H,20,21)
InChIKeyQYCZLWIVZJCMNS-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332228
2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 80573900
N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 113464669
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 80573115
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
N-(3-chlorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573961
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 80572253
2-(2,3-dihydro-1H-indol-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396930
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571755

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide (CID 80571757) is N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide is O=C(CC1CNc2ccccc21)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The InChIKey is QYCZLWIVZJCMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-7-5-12(6-8-14)10-20-17(21)9-13-11-19-16-4-2-1-3-15(13)16/h1-8,13,19H,9-11H2,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide has a molecular weight of 300.79 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 80571757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).