5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid

C17H15ClFNO3 — CID 141008013

IUPAC5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid
SMILESCC(Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C17H15ClFNO3/c1-10(8-11-4-2-3-5-14(11)19)16(21)20-15-7-6-12(18)9-13(15)17(22)23/h2-7,9-10H,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyYFUOKHYFGMDNIQ-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.99
Rot. Bonds5

About 5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid

5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid (PubChem CID 141008013) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is 5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid
PubChem CID141008013
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid
SMILESCC(Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C17H15ClFNO3/c1-10(8-11-4-2-3-5-14(11)19)16(21)20-15-7-6-12(18)9-13(15)17(22)23/h2-7,9-10H,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyYFUOKHYFGMDNIQ-UHFFFAOYSA-N
XLogP3.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
CID 55104752
5-chloro-2-(1-phenylethylcarbamoylamino)benzoic acid
CID 23444449
5-chloro-2-(2-methylpropylcarbamoylamino)benzoic acid
CID 61187936
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-chlorobenzoic acid
CID 61158389
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
5-chloro-2-[3-(2-methylphenyl)propanoylamino]benzoic acid
CID 141008006
5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid
CID 2233630
4-chloro-2-[[2-methyl-3-(3-methylphenyl)propanoyl]amino]benzoic acid
CID 141008024
5-chloro-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]benzoic acid
CID 61203622
5-chloro-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid
CID 61470803
2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
CID 61404300
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid (CID 141008013) is 5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid is CC(Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid?
The InChIKey is YFUOKHYFGMDNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-10(8-11-4-2-3-5-14(11)19)16(21)20-15-7-6-12(18)9-13(15)17(22)23/h2-7,9-10H,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid?
5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid has a molecular weight of 335.76 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoic acid is sourced from PubChem (CID 141008013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).