2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide

C19H19ClFNO — CID 18139443

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C19H19ClFNO/c20-16-8-4-9-17(21)15(16)12-18(23)22-13-19(10-5-11-19)14-6-2-1-3-7-14/h1-4,6-9H,5,10-13H2,(H,22,23)
InChIKeyZHAMUYDFOIVQCP-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.26
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide (PubChem CID 18139443) has the molecular formula C19H19ClFNO and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide
PubChem CID18139443
Molecular FormulaC19H19ClFNO
Molecular Weight331.82 g/mol
Exact Mass331.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C19H19ClFNO/c20-16-8-4-9-17(21)15(16)12-18(23)22-13-19(10-5-11-19)14-6-2-1-3-7-14/h1-4,6-9H,5,10-13H2,(H,22,23)
InChIKeyZHAMUYDFOIVQCP-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311909
2-(2-chloro-6-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121179089
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114758055
2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484750
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
CID 91817773
3-(2,3-dichlorophenyl)-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 38937319
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
CID 4811592
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide (CID 18139443) is 2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
The InChIKey is ZHAMUYDFOIVQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO/c20-16-8-4-9-17(21)15(16)12-18(23)22-13-19(10-5-11-19)14-6-2-1-3-7-14/h1-4,6-9H,5,10-13H2,(H,22,23).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide has a molecular weight of 331.82 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 18139443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).