3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid

C19H18FNO5 — CID 119214366

IUPAC3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(NC(=O)C2CC2c2ccc(F)cc2)c1OC
InChIInChI=1S/C19H18FNO5/c1-25-16-8-11(19(23)24)7-15(17(16)26-2)21-18(22)14-9-13(14)10-3-5-12(20)6-4-10/h3-8,13-14H,9H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZVIMLMDSTUESPN-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.28
Rot. Bonds6

About 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid

3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid (PubChem CID 119214366) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid
PubChem CID119214366
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(NC(=O)C2CC2c2ccc(F)cc2)c1OC
InChIInChI=1S/C19H18FNO5/c1-25-16-8-11(19(23)24)7-15(17(16)26-2)21-18(22)14-9-13(14)10-3-5-12(20)6-4-10/h3-8,13-14H,9H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZVIMLMDSTUESPN-UHFFFAOYSA-N
XLogP3.28
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid
CID 75429155
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
3,4-dimethoxy-5-[[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzoic acid
CID 97234084
3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 84569190
4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688195
5-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688305
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
2-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 51291677
N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009885
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 2933931
3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid
CID 119214247

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid (CID 119214366) is 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(NC(=O)C2CC2c2ccc(F)cc2)c1OC.
What is the InChIKey of 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid?
The InChIKey is ZVIMLMDSTUESPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5/c1-25-16-8-11(19(23)24)7-15(17(16)26-2)21-18(22)14-9-13(14)10-3-5-12(20)6-4-10/h3-8,13-14H,9H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid?
3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid has a molecular weight of 359.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 119214366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).