2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid

C12H12FNO3 — CID 28765585

IUPAC2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid
SMILESO=C(O)CN(C(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO3/c13-9-3-5-10(6-4-9)14(7-11(15)16)12(17)8-1-2-8/h3-6,8H,1-2,7H2,(H,15,16)
InChIKeyFCFMTYDATJJHNS-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.65
Rot. Bonds4

About 2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid

2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid (PubChem CID 28765585) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid
PubChem CID28765585
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid
SMILESO=C(O)CN(C(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO3/c13-9-3-5-10(6-4-9)14(7-11(15)16)12(17)8-1-2-8/h3-6,8H,1-2,7H2,(H,15,16)
InChIKeyFCFMTYDATJJHNS-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid
CID 61161669
2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
CID 63007265
2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
CID 106739630
2-(4-methoxy-N-(1-oxothiane-4-carbonyl)anilino)acetic acid
CID 22318062
2-(4-chloro-N-(5-oxopyrrolidine-3-carbonyl)anilino)acetic acid
CID 83191993
2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61161284
2-[N-(cyclohex-3-ene-1-carbonyl)-4-methylanilino]acetic acid
CID 60832118
2-(N-(1,1-dioxothiolane-3-carbonyl)-4-methylanilino)acetic acid
CID 60830600
2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid
CID 20871784
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860

Frequently Asked Questions

What is the IUPAC name of 2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid?
The IUPAC name of 2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid (CID 28765585) is 2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid.
What is the SMILES notation for 2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid?
The canonical SMILES for 2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid is O=C(O)CN(C(=O)C1CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid?
The InChIKey is FCFMTYDATJJHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-3-5-10(6-4-9)14(7-11(15)16)12(17)8-1-2-8/h3-6,8H,1-2,7H2,(H,15,16).
What are the key properties of 2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid?
2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid has a molecular weight of 237.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid is sourced from PubChem (CID 28765585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).