2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid

C17H16FNO4 — CID 167893929

IUPAC2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc(F)c3ccccc3c2)CCO1
InChIInChI=1S/C17H16FNO4/c18-15-8-12(7-11-3-1-2-4-14(11)15)17(22)19-5-6-23-13(10-19)9-16(20)21/h1-4,7-8,13H,5-6,9-10H2,(H,20,21)
InChIKeyKMWFNAQJWYSKHW-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.29
Rot. Bonds3

About 2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid

2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 167893929) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID167893929
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc(F)c3ccccc3c2)CCO1
InChIInChI=1S/C17H16FNO4/c18-15-8-12(7-11-3-1-2-4-14(11)15)17(22)19-5-6-23-13(10-19)9-16(20)21/h1-4,7-8,13H,5-6,9-10H2,(H,20,21)
InChIKeyKMWFNAQJWYSKHW-UHFFFAOYSA-N
XLogP2.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid
CID 119247842
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
CID 129348847
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(3-bromo-5-chlorobenzoyl)morpholin-2-yl]acetic acid
CID 107938149
2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
CID 66433018

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid (CID 167893929) is 2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cc(F)c3ccccc3c2)CCO1.
What is the InChIKey of 2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is KMWFNAQJWYSKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c18-15-8-12(7-11-3-1-2-4-14(11)15)17(22)19-5-6-23-13(10-19)9-16(20)21/h1-4,7-8,13H,5-6,9-10H2,(H,20,21).
What are the key properties of 2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 317.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 167893929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).