2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid

C19H18FNO4 — CID 122109940

IUPAC2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CC1
InChIInChI=1S/C19H18FNO4/c1-25-16-5-3-2-4-14(16)19(8-9-19)18(24)21-13-7-6-12(10-17(22)23)15(20)11-13/h2-7,11H,8-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyWCKSRZLNBGOEHF-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.13
Rot. Bonds6

About 2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid

2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid (PubChem CID 122109940) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
PubChem CID122109940
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CC1
InChIInChI=1S/C19H18FNO4/c1-25-16-5-3-2-4-14(16)19(8-9-19)18(24)21-13-7-6-12(10-17(22)23)15(20)11-13/h2-7,11H,8-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyWCKSRZLNBGOEHF-UHFFFAOYSA-N
XLogP3.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125
5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 119255092
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613
methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 110438930
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
N-(3H-benzimidazol-5-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438956
1-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439650
2-[4-[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109753
N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439021
1-(2-methoxyphenyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 110439711
2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid
CID 122109874
N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438934

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid (CID 122109940) is 2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid is COc1ccccc1C1(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CC1.
What is the InChIKey of 2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid?
The InChIKey is WCKSRZLNBGOEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-25-16-5-3-2-4-14(16)19(8-9-19)18(24)21-13-7-6-12(10-17(22)23)15(20)11-13/h2-7,11H,8-10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid?
2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid has a molecular weight of 343.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 122109940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).