cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13ClFNO3 — CID 106321337

IUPACcis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H13ClFNO3/c14-8-2-4-11(15)10(6-8)12(17)16-9-3-1-7(5-9)13(18)19/h2,4,6-7,9H,1,3,5H2,(H,16,17)(H,18,19)/t7-,9+/m1/s1
InChIKeyQWFNCSIKEMBJCS-APPZFPTMSA-N
MW285.70 g/mol
LogP2.46
Rot. Bonds3

About cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106321337) has the molecular formula C13H13ClFNO3 and a molecular weight of 285.70 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106321337
Molecular FormulaC13H13ClFNO3
Molecular Weight285.70 g/mol
Exact Mass285.06
IUPAC Namecis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H13ClFNO3/c14-8-2-4-11(15)10(6-8)12(17)16-9-3-1-7(5-9)13(18)19/h2,4,6-7,9H,1,3,5H2,(H,16,17)(H,18,19)/t7-,9+/m1/s1
InChIKeyQWFNCSIKEMBJCS-APPZFPTMSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
5-chloro-2-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 103082452
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114173210
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103887689
cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676512
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677489
cis-(1R,3S)-3-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320904

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 106321337) is cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc(Cl)ccc1F.
What is the InChIKey of cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QWFNCSIKEMBJCS-APPZFPTMSA-N. The full InChI is InChI=1S/C13H13ClFNO3/c14-8-2-4-11(15)10(6-8)12(17)16-9-3-1-7(5-9)13(18)19/h2,4,6-7,9H,1,3,5H2,(H,16,17)(H,18,19)/t7-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 285.70 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).