trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid

C20H18FNO4 — CID 87415672

IUPACtrans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid
SMILESO=CNc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1F
InChIInChI=1S/C20H18FNO4/c21-17-10-14(8-9-18(17)22-11-23)12-4-6-13(7-5-12)19(24)15-2-1-3-16(15)20(25)26/h4-11,15-16H,1-3H2,(H,22,23)(H,25,26)/t15-,16-/m1/s1
InChIKeyAIWUGOFWNDQVJO-HZPDHXFCSA-N
MW355.37 g/mol
LogP3.74
Rot. Bonds6

About trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid

trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid (PubChem CID 87415672) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid
PubChem CID87415672
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Nametrans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid
SMILESO=CNc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1F
InChIInChI=1S/C20H18FNO4/c21-17-10-14(8-9-18(17)22-11-23)12-4-6-13(7-5-12)19(24)15-2-1-3-16(15)20(25)26/h4-11,15-16H,1-3H2,(H,22,23)(H,25,26)/t15-,16-/m1/s1
InChIKeyAIWUGOFWNDQVJO-HZPDHXFCSA-N
XLogP3.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 54395284
trans-(1S,2S)-2-[4-[4-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-3-fluorophenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 11191168
trans-(1R,2R)-2-[4-[3-fluoro-4-[(5-methyl-1,3-benzoxazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 11547070
2-(4-chlorobenzoyl)cyclopentane-1-carboxylic acid
CID 53411598
cis-(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 2725092
trans-(1S,2S)-2-[4-[4-[(5,7-difluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 87286584
2-(4-chloro-3-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 146004288
2-(3,4,5-trifluorobenzoyl)cyclohexane-1-carboxylic acid
CID 146004587
trans-(1R,2R)-2-[4-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 24866193
trans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 24864912
methane;trans-methyl (1R,2R)-2-[4-[4-(1H-benzimidazol-2-ylamino)-3-fluorophenyl]benzoyl]cyclopentane-1-carboxylate
CID 157167953
(2R)-2-[4-[4-[(6-fluoro-1,3-benzoxazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 67359161

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid (CID 87415672) is trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid is O=CNc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1F.
What is the InChIKey of trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid?
The InChIKey is AIWUGOFWNDQVJO-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H18FNO4/c21-17-10-14(8-9-18(17)22-11-23)12-4-6-13(7-5-12)19(24)15-2-1-3-16(15)20(25)26/h4-11,15-16H,1-3H2,(H,22,23)(H,25,26)/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid has a molecular weight of 355.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(3-fluoro-4-formamidophenyl)benzoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 87415672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).