2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid

C22H23FN2O4 — CID 119224606

IUPAC2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C22H23FN2O4/c23-17-7-5-16(6-8-17)22(11-1-2-12-22)21(29)25-18-9-3-15(4-10-18)13-19(26)24-14-20(27)28/h3-10H,1-2,11-14H2,(H,24,26)(H,25,29)(H,27,28)
InChIKeyHBQBEZPMDBPCSU-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.02
Rot. Bonds7

About 2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224606) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224606
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C22H23FN2O4/c23-17-7-5-16(6-8-17)22(11-1-2-12-22)21(29)25-18-9-3-15(4-10-18)13-19(26)24-14-20(27)28/h3-10H,1-2,11-14H2,(H,24,26)(H,25,29)(H,27,28)
InChIKeyHBQBEZPMDBPCSU-UHFFFAOYSA-N
XLogP3.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523468
2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid
CID 45435122
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814
2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224522
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55961922
N-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119516222
1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
CID 110439215
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 55537878
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid (CID 119224606) is 2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1.
What is the InChIKey of 2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is HBQBEZPMDBPCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c23-17-7-5-16(6-8-17)22(11-1-2-12-22)21(29)25-18-9-3-15(4-10-18)13-19(26)24-14-20(27)28/h3-10H,1-2,11-14H2,(H,24,26)(H,25,29)(H,27,28).
What are the key properties of 2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 398.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).