N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide

C14H18ClFN2O2 — CID 86789635

IUPACN-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccc(F)cc1Cl)C1CCCO1
InChIInChI=1S/C14H18ClFN2O2/c1-9(13-3-2-6-20-13)17-8-14(19)18-12-5-4-10(16)7-11(12)15/h4-5,7,9,13,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyPRAJECVZKFUIER-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.57
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide

N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide (PubChem CID 86789635) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
PubChem CID86789635
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccc(F)cc1Cl)C1CCCO1
InChIInChI=1S/C14H18ClFN2O2/c1-9(13-3-2-6-20-13)17-8-14(19)18-12-5-4-10(16)7-11(12)15/h4-5,7,9,13,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyPRAJECVZKFUIER-UHFFFAOYSA-N
XLogP2.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43534114
N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43626479
2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]amino]-N-phenylacetamide
CID 93103707
(2S)-2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83195208
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 43772020
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332
2-(benzhydrylamino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 2441188
5-fluoro-2-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198695
1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 86862826
N-(2-chloro-4-fluorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60536996
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
5-(2-chloro-4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62964348

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide (CID 86789635) is N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide is CC(NCC(=O)Nc1ccc(F)cc1Cl)C1CCCO1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide?
The InChIKey is PRAJECVZKFUIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-9(13-3-2-6-20-13)17-8-14(19)18-12-5-4-10(16)7-11(12)15/h4-5,7,9,13,17H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide has a molecular weight of 300.76 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide is sourced from PubChem (CID 86789635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).