4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid

C19H20FNO2 — CID 122033757

IUPAC4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC2CCC(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C19H20FNO2/c20-17-3-1-2-15(10-17)16-8-9-18(11-16)21-12-13-4-6-14(7-5-13)19(22)23/h1-7,10,16,18,21H,8-9,11-12H2,(H,22,23)
InChIKeyXPCPNKRTEIUZGA-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.95
Rot. Bonds5

About 4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid

4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid (PubChem CID 122033757) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid
PubChem CID122033757
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC2CCC(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C19H20FNO2/c20-17-3-1-2-15(10-17)16-8-9-18(11-16)21-12-13-4-6-14(7-5-13)19(22)23/h1-7,10,16,18,21H,8-9,11-12H2,(H,22,23)
InChIKeyXPCPNKRTEIUZGA-UHFFFAOYSA-N
XLogP3.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-cyclopropylcyclohexyl)amino]methyl]benzoic acid
CID 22501789
4-[(oxan-4-ylamino)methyl]benzoic acid
CID 55049124
4-[2-[4-[(cyclopropylamino)methyl]phenyl]ethynyl]benzoic acid
CID 122494547
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513
4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
CID 122033747
1-(3-aminocyclohexyl)-3-[3-(3-fluorophenyl)cyclopentyl]urea
CID 128811232
4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 62215760
4-[[(1,1-dioxothian-4-yl)amino]methyl]benzoic acid
CID 62217623
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79978495
2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid
CID 43635194

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid (CID 122033757) is 4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC2CCC(c3cccc(F)c3)C2)cc1.
What is the InChIKey of 4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid?
The InChIKey is XPCPNKRTEIUZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-3-1-2-15(10-17)16-8-9-18(11-16)21-12-13-4-6-14(7-5-13)19(22)23/h1-7,10,16,18,21H,8-9,11-12H2,(H,22,23).
What are the key properties of 4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid?
4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid has a molecular weight of 313.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid is sourced from PubChem (CID 122033757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).