5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid

C14H19FN2O3 — CID 61199857

IUPAC5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
SMILESCCCCCN(C)C(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-3-4-5-8-17(2)14(20)16-12-7-6-10(15)9-11(12)13(18)19/h6-7,9H,3-5,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyAEYCWULNBGCQQY-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.18
Rot. Bonds6

About 5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid

5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid (PubChem CID 61199857) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
PubChem CID61199857
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
SMILESCCCCCN(C)C(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-3-4-5-8-17(2)14(20)16-12-7-6-10(15)9-11(12)13(18)19/h6-7,9H,3-5,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyAEYCWULNBGCQQY-UHFFFAOYSA-N
XLogP3.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid
CID 61197584
5-fluoro-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]benzoic acid
CID 79846761
2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid
CID 61443329
3-(4-fluoro-2-nitrophenyl)-1-heptyl-1-methylurea
CID 23370111
4-fluoro-2-[[3-methoxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62994916
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263
5-bromo-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]benzoic acid
CID 63699250
2-[[2-[acetyl(methyl)amino]acetyl]amino]-5-fluorobenzoic acid
CID 43359616
5-fluoro-2-(hexan-2-ylcarbamoylamino)benzoic acid
CID 62198977
4-fluoro-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81037873
3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid
CID 61195692
5-(dimethylamino)-2-(pentanoylamino)benzoic acid
CID 50782826

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid (CID 61199857) is 5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid is CCCCCN(C)C(=O)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid?
The InChIKey is AEYCWULNBGCQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-4-5-8-17(2)14(20)16-12-7-6-10(15)9-11(12)13(18)19/h6-7,9H,3-5,8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid?
5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid has a molecular weight of 282.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[methyl(pentyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61199857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).