N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

C18H17ClFNO — CID 86955757

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CCc2ccccc21)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H17ClFNO/c19-16-9-12(5-8-17(16)20)11-21-18(22)10-14-7-6-13-3-1-2-4-15(13)14/h1-5,8-9,14H,6-7,10-11H2,(H,21,22)
InChIKeyXYWRYSKGRHTUGP-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.22
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 86955757) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID86955757
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CCc2ccccc21)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H17ClFNO/c19-16-9-12(5-8-17(16)20)11-21-18(22)10-14-7-6-13-3-1-2-4-15(13)14/h1-5,8-9,14H,6-7,10-11H2,(H,21,22)
InChIKeyXYWRYSKGRHTUGP-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955231
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 24881783
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
2-(2,3-dihydro-1H-inden-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 86955297
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97113053
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63772616
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 97109671
2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 103039403
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 97118131

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide (CID 86955757) is N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide is O=C(CC1CCc2ccccc21)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is XYWRYSKGRHTUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-16-9-12(5-8-17(16)20)11-21-18(22)10-14-7-6-13-3-1-2-4-15(13)14/h1-5,8-9,14H,6-7,10-11H2,(H,21,22).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 317.79 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 86955757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).