(2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide

C20H28FN3O2 — CID 88537074

IUPAC(2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
SMILESCc1cc(N[C@H](CCCCn2c(C)ccc2C)C(=O)NO)cc(C)c1F
InChIInChI=1S/C20H28FN3O2/c1-13-11-17(12-14(2)19(13)21)22-18(20(25)23-26)7-5-6-10-24-15(3)8-9-16(24)4/h8-9,11-12,18,22,26H,5-7,10H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyLEYGMWCMNSHQGV-GOSISDBHSA-N
MW361.46 g/mol
LogP4.02
Rot. Bonds8

About (2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide

(2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide (PubChem CID 88537074) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is (2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
PubChem CID88537074
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name(2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide
SMILESCc1cc(N[C@H](CCCCn2c(C)ccc2C)C(=O)NO)cc(C)c1F
InChIInChI=1S/C20H28FN3O2/c1-13-11-17(12-14(2)19(13)21)22-18(20(25)23-26)7-5-6-10-24-15(3)8-9-16(24)4/h8-9,11-12,18,22,26H,5-7,10H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyLEYGMWCMNSHQGV-GOSISDBHSA-N
XLogP4.02
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
The IUPAC name of (2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide (CID 88537074) is (2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
The canonical SMILES for (2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide is Cc1cc(N[C@H](CCCCn2c(C)ccc2C)C(=O)NO)cc(C)c1F.
What is the InChIKey of (2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
The InChIKey is LEYGMWCMNSHQGV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-13-11-17(12-14(2)19(13)21)22-18(20(25)23-26)7-5-6-10-24-15(3)8-9-16(24)4/h8-9,11-12,18,22,26H,5-7,10H2,1-4H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide?
(2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide has a molecular weight of 361.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(2,5-dimethylpyrrol-1-yl)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyhexanamide is sourced from PubChem (CID 88537074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).