4-[ethyl(methyl)amino]-3-fluorobenzoic acid

C10H12FNO2 — CID 43263559

IUPAC4-[ethyl(methyl)amino]-3-fluorobenzoic acid
SMILESCCN(C)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C10H12FNO2/c1-3-12(2)9-5-4-7(10(13)14)6-8(9)11/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyVPWJXZXOZHPYBK-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.98
Rot. Bonds3

About 4-[ethyl(methyl)amino]-3-fluorobenzoic acid

4-[ethyl(methyl)amino]-3-fluorobenzoic acid (PubChem CID 43263559) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-3-fluorobenzoic acid
PubChem CID43263559
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name4-[ethyl(methyl)amino]-3-fluorobenzoic acid
SMILESCCN(C)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C10H12FNO2/c1-3-12(2)9-5-4-7(10(13)14)6-8(9)11/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyVPWJXZXOZHPYBK-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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p-Acetamidobenzoic acid
CID 19266
4-(Dimethylamino)benzoic acid
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Benzoic acid, 4-(dimethylamino)-, pentyl ester
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4-Dimethylaminoazobenzene-4'-carboxylic acid
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Ethyl 4-(dimethylamino)benzoate
CID 25127
4-(Hexadecylamino)benzoic acid
CID 47263
4-(Methylamino)benzoic acid
CID 66345
2-(Dimethylamino)benzoic acid
CID 69118
4-(2,5-Dioxopyrrolidin-1-yl)benzoic acid
CID 351361
Benzoic acid, 4-(diethylamino)-
CID 79480
Isoamyl 4-N,N-dimethylaminobenzoate
CID 88836

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[ethyl(methyl)amino]-3-fluorobenzoic acid (CID 43263559) is 4-[ethyl(methyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[ethyl(methyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[ethyl(methyl)amino]-3-fluorobenzoic acid is CCN(C)c1ccc(C(=O)O)cc1F.
What is the InChIKey of 4-[ethyl(methyl)amino]-3-fluorobenzoic acid?
The InChIKey is VPWJXZXOZHPYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-3-12(2)9-5-4-7(10(13)14)6-8(9)11/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 4-[ethyl(methyl)amino]-3-fluorobenzoic acid?
4-[ethyl(methyl)amino]-3-fluorobenzoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 43263559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).