5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid

C19H18FNO4 — CID 119169544

IUPAC5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CNC(=O)C2(c3ccccc3F)CC2)cc1C(=O)O
InChIInChI=1S/C19H18FNO4/c1-25-16-7-6-12(10-13(16)17(22)23)11-21-18(24)19(8-9-19)14-4-2-3-5-15(14)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyOTLOMXQTGLACSS-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.88
Rot. Bonds6

About 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid

5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid (PubChem CID 119169544) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
PubChem CID119169544
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CNC(=O)C2(c3ccccc3F)CC2)cc1C(=O)O
InChIInChI=1S/C19H18FNO4/c1-25-16-7-6-12(10-13(16)17(22)23)11-21-18(24)19(8-9-19)14-4-2-3-5-15(14)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyOTLOMXQTGLACSS-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2,6-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384671
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283
5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226939
1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 55853318
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33042340
5-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384785
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 100600748
5-[[[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688322
2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid
CID 45384591
1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide
CID 110438579

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid (CID 119169544) is 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid is COc1ccc(CNC(=O)C2(c3ccccc3F)CC2)cc1C(=O)O.
What is the InChIKey of 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid?
The InChIKey is OTLOMXQTGLACSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-25-16-7-6-12(10-13(16)17(22)23)11-21-18(24)19(8-9-19)14-4-2-3-5-15(14)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid?
5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid has a molecular weight of 343.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 119169544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).