trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid

C27H24FNO4 — CID 11983455

IUPACtrans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)Nc2ccc(-c3ccc(C(=O)[C@H]4CCC[C@@H]4C(=O)O)cc3)cc2)ccc1F
InChIInChI=1S/C27H24FNO4/c1-16-15-20(11-14-24(16)28)26(31)29-21-12-9-18(10-13-21)17-5-7-19(8-6-17)25(30)22-3-2-4-23(22)27(32)33/h5-15,22-23H,2-4H2,1H3,(H,29,31)(H,32,33)/t22-,23-/m0/s1
InChIKeyMYQZWHVIKGVBMT-GOTSBHOMSA-N
MW445.49 g/mol
LogP5.74
Rot. Bonds6

About trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid

trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid (PubChem CID 11983455) has the molecular formula C27H24FNO4 and a molecular weight of 445.49 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
PubChem CID11983455
Molecular FormulaC27H24FNO4
Molecular Weight445.49 g/mol
Exact Mass445.17
IUPAC Nametrans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)Nc2ccc(-c3ccc(C(=O)[C@H]4CCC[C@@H]4C(=O)O)cc3)cc2)ccc1F
InChIInChI=1S/C27H24FNO4/c1-16-15-20(11-14-24(16)28)26(31)29-21-12-9-18(10-13-21)17-5-7-19(8-6-17)25(30)22-3-2-4-23(22)27(32)33/h5-15,22-23H,2-4H2,1H3,(H,29,31)(H,32,33)/t22-,23-/m0/s1
InChIKeyMYQZWHVIKGVBMT-GOTSBHOMSA-N
XLogP5.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid (CID 11983455) is trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid is Cc1cc(C(=O)Nc2ccc(-c3ccc(C(=O)[C@H]4CCC[C@@H]4C(=O)O)cc3)cc2)ccc1F.
What is the InChIKey of trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
The InChIKey is MYQZWHVIKGVBMT-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H24FNO4/c1-16-15-20(11-14-24(16)28)26(31)29-21-12-9-18(10-13-21)17-5-7-19(8-6-17)25(30)22-3-2-4-23(22)27(32)33/h5-15,22-23H,2-4H2,1H3,(H,29,31)(H,32,33)/t22-,23-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid has a molecular weight of 445.49 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 11983455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).