N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide

C18H23ClFNO3 — CID 124849617

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@@H]1CCCCO1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C18H23ClFNO3/c19-16-5-3-6-17(20)15(16)10-21(13-7-8-13)18(22)12-23-11-14-4-1-2-9-24-14/h3,5-6,13-14H,1-2,4,7-12H2/t14-/m0/s1
InChIKeyPCSSMDFKUMKBCX-AWEZNQCLSA-N
MW355.84 g/mol
LogP3.56
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide (PubChem CID 124849617) has the molecular formula C18H23ClFNO3 and a molecular weight of 355.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
PubChem CID124849617
Molecular FormulaC18H23ClFNO3
Molecular Weight355.84 g/mol
Exact Mass355.14
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@@H]1CCCCO1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C18H23ClFNO3/c19-16-5-3-6-17(20)15(16)10-21(13-7-8-13)18(22)12-23-11-14-4-1-2-9-24-14/h3,5-6,13-14H,1-2,4,7-12H2/t14-/m0/s1
InChIKeyPCSSMDFKUMKBCX-AWEZNQCLSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide
CID 55756901
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 124755398
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
2-(2-chloro-6-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 55047758
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78835530
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chloro-3-methylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18884125
(2R)-N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxolane-2-carboxamide
CID 99859409
cis-(1R,3S)-3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]cyclopentane-1-carboxylic acid
CID 171912650
1-[(2-chloro-6-fluorophenyl)methyl]-3-(2,5-dichlorophenyl)-1-(oxolan-2-ylmethyl)thiourea
CID 17370471
N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55491880

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide (CID 124849617) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide is O=C(COC[C@@H]1CCCCO1)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
The InChIKey is PCSSMDFKUMKBCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23ClFNO3/c19-16-5-3-6-17(20)15(16)10-21(13-7-8-13)18(22)12-23-11-14-4-1-2-9-24-14/h3,5-6,13-14H,1-2,4,7-12H2/t14-/m0/s1.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide has a molecular weight of 355.84 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide is sourced from PubChem (CID 124849617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).