(3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol

C17H20FN3O2 — CID 143923093

IUPAC(3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol
SMILESNc1cc(N)cc(C(=O)N2CCCC2)c1.Oc1ccccc1F
InChIInChI=1S/C11H15N3O.C6H5FO/c12-9-5-8(6-10(13)7-9)11(15)14-3-1-2-4-14;7-5-3-1-2-4-6(5)8/h5-7H,1-4,12-13H2;1-4,8H
InChIKeyCYOJNRREOUYONL-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.62
Rot. Bonds1

About (3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol

(3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol (PubChem CID 143923093) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol.

Molecular Properties

Compound Name(3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol
PubChem CID143923093
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol
SMILESNc1cc(N)cc(C(=O)N2CCCC2)c1.Oc1ccccc1F
InChIInChI=1S/C11H15N3O.C6H5FO/c12-9-5-8(6-10(13)7-9)11(15)14-3-1-2-4-14;7-5-3-1-2-4-6(5)8/h5-7H,1-4,12-13H2;1-4,8H
InChIKeyCYOJNRREOUYONL-UHFFFAOYSA-N
XLogP2.62
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol with MolForge

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

Launch Full Analysis

Related Compounds

[4-(3,5-diaminobenzoyl)piperazin-1-yl]-(3,5-diaminophenyl)methanone
CID 58291381
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
1-[4-(3,5-diaminobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 61140461
(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
CID 39245269
(4-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
CID 82372380
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone
CID 53007694
(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 62650888
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
(3-fluorophenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545753
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305

Frequently Asked Questions

What is the IUPAC name of (3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol?
The IUPAC name of (3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol (CID 143923093) is (3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol.
What is the SMILES notation for (3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol?
The canonical SMILES for (3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol is Nc1cc(N)cc(C(=O)N2CCCC2)c1.Oc1ccccc1F.
What is the InChIKey of (3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol?
The InChIKey is CYOJNRREOUYONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.C6H5FO/c12-9-5-8(6-10(13)7-9)11(15)14-3-1-2-4-14;7-5-3-1-2-4-6(5)8/h5-7H,1-4,12-13H2;1-4,8H.
What are the key properties of (3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol?
(3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol has a molecular weight of 317.36 g/mol, XLogP of 2.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol is sourced from PubChem (CID 143923093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).