4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid

C15H18FNO3 — CID 103925771

IUPAC4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
SMILESCCC1(C(=O)Nc2ccc(C(=O)O)c(F)c2)CCCC1
InChIInChI=1S/C15H18FNO3/c1-2-15(7-3-4-8-15)14(20)17-10-5-6-11(13(18)19)12(16)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyBTDUKGHUNSEEPN-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.43
Rot. Bonds4

About 4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid

4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid (PubChem CID 103925771) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
PubChem CID103925771
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
SMILESCCC1(C(=O)Nc2ccc(C(=O)O)c(F)c2)CCCC1
InChIInChI=1S/C15H18FNO3/c1-2-15(7-3-4-8-15)14(20)17-10-5-6-11(13(18)19)12(16)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyBTDUKGHUNSEEPN-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
CID 119178935
N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide
CID 164882968
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613
5-[(3-ethylpyrrolidine-3-carbonyl)amino]-2-fluorobenzoic acid
CID 63139894
5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
CID 115434908
4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid
CID 114126371
4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
CID 63135020
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 107795125
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
CID 115435206
2-fluoro-4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 107795101
3-[4-[(1-ethylcyclopentanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541391
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid (CID 103925771) is 4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid is CCC1(C(=O)Nc2ccc(C(=O)O)c(F)c2)CCCC1.
What is the InChIKey of 4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid?
The InChIKey is BTDUKGHUNSEEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-15(7-3-4-8-15)14(20)17-10-5-6-11(13(18)19)12(16)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid?
4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid has a molecular weight of 279.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 103925771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).