[3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid

C12H15FN2O4 — CID 140993203

IUPAC[3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid
SMILESCN(C)CCOc1cc(C(=O)NC(=O)O)ccc1F
InChIInChI=1S/C12H15FN2O4/c1-15(2)5-6-19-10-7-8(3-4-9(10)13)11(16)14-12(17)18/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVHGMOVAKKRONGF-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.17
Rot. Bonds5

About [3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid

[3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid (PubChem CID 140993203) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid
PubChem CID140993203
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name[3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid
SMILESCN(C)CCOc1cc(C(=O)NC(=O)O)ccc1F
InChIInChI=1S/C12H15FN2O4/c1-15(2)5-6-19-10-7-8(3-4-9(10)13)11(16)14-12(17)18/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVHGMOVAKKRONGF-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
2-(dimethylamino)ethyl 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoate
CID 167448397
N-[(1Z,6Z)-1,7-bis(3,4-difluorophenyl)-2,6-dimethylhepta-1,6-dien-4-yl]-4-[2-(dimethylamino)ethoxy]-3-fluorobenzamide
CID 171835268
methyl 3-[2-(dimethylamino)ethoxy]-4-(4-fluorophenyl)benzoate
CID 69037624
N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
CID 93216697
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenecarbothioamide
CID 61102663
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506
4-[3-(dimethylamino)propoxy]-3-methylbenzoic acid
CID 62702605
3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64853662
N-[2-[2-(dimethylamino)ethoxy]phenyl]-4-phenylbenzamide
CID 18672579

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid?
The IUPAC name of [3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid (CID 140993203) is [3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid.
What is the SMILES notation for [3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid?
The canonical SMILES for [3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid is CN(C)CCOc1cc(C(=O)NC(=O)O)ccc1F.
What is the InChIKey of [3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid?
The InChIKey is VHGMOVAKKRONGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-15(2)5-6-19-10-7-8(3-4-9(10)13)11(16)14-12(17)18/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of [3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid?
[3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid has a molecular weight of 270.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethoxy]-4-fluorobenzoyl]carbamic acid is sourced from PubChem (CID 140993203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).