trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide

C21H22FN3O2 — CID 86275379

IUPACtrans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@@H](c2ccc3c(c2)ncn3C)C1
InChIInChI=1S/C21H22FN3O2/c1-13-16(4-3-5-17(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-19-18(10-14)23-12-25(19)2/h3-7,10,12,15,27H,8-9,11H2,1-2H3,(H,24,26)/t15-,21+/m1/s1
InChIKeyQGHNXNLNZRPJAO-VFNWGFHPSA-N
MW367.42 g/mol
LogP3.73
Rot. Bonds3

About trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide

trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 86275379) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide
PubChem CID86275379
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Nametrans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@@H](c2ccc3c(c2)ncn3C)C1
InChIInChI=1S/C21H22FN3O2/c1-13-16(4-3-5-17(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-19-18(10-14)23-12-25(19)2/h3-7,10,12,15,27H,8-9,11H2,1-2H3,(H,24,26)/t15-,21+/m1/s1
InChIKeyQGHNXNLNZRPJAO-VFNWGFHPSA-N
XLogP3.73
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(3-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide;sulfane
CID 162000832
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylindazol-5-yl)cyclopentane-1-carboxamide
CID 118870476
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide
CID 86273456
1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyridin-3-ylcyclopentane-1-carboxamide
CID 86273207
(1S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 118870540
(1S)-1-(3-fluoro-2-methylphenyl)-3-(1-methylindazol-5-yl)cyclopentane-1-carboxylic acid
CID 118882068
trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 86272515
(1S)-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-(3-fluoro-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 118882065
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-[(5-fluoro-3-pyridinyl)oxy]-N-hydroxycyclopentane-1-carboxamide
CID 86272517
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenoxycyclopentane-1-carboxamide
CID 86272519
5-(3-fluoro-2-methylphenyl)-2-(3-fluoro-2-pyridinyl)-N-hydroxy-4,6-dihydrocyclopenta[c]pyrazole-5-carboxamide
CID 118560052
cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide
CID 86274412

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide (CID 86275379) is trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)CC[C@@H](c2ccc3c(c2)ncn3C)C1.
What is the InChIKey of trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide?
The InChIKey is QGHNXNLNZRPJAO-VFNWGFHPSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13-16(4-3-5-17(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-19-18(10-14)23-12-25(19)2/h3-7,10,12,15,27H,8-9,11H2,1-2H3,(H,24,26)/t15-,21+/m1/s1.
What are the key properties of trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide?
trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-(1-methylbenzimidazol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 86275379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).