2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide

C19H21FN4O — CID 146556836

IUPAC2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide
SMILESNC(=O)c1cccc(/C=N/c2ccc(C3(F)CCCNC3)cc2)c1N
InChIInChI=1S/C19H21FN4O/c20-19(9-2-10-23-12-19)14-5-7-15(8-6-14)24-11-13-3-1-4-16(17(13)21)18(22)25/h1,3-8,11,23H,2,9-10,12,21H2,(H2,22,25)/b24-11+
InChIKeyHFSYSPMRHLHOLW-BHGWPJFGSA-N
MW340.40 g/mol
LogP2.67
Rot. Bonds4

About 2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide

2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide (PubChem CID 146556836) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide
PubChem CID146556836
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide
SMILESNC(=O)c1cccc(/C=N/c2ccc(C3(F)CCCNC3)cc2)c1N
InChIInChI=1S/C19H21FN4O/c20-19(9-2-10-23-12-19)14-5-7-15(8-6-14)24-11-13-3-1-4-16(17(13)21)18(22)25/h1,3-8,11,23H,2,9-10,12,21H2,(H2,22,25)/b24-11+
InChIKeyHFSYSPMRHLHOLW-BHGWPJFGSA-N
XLogP2.67
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide
CID 146556790
1-[3-(3-fluoropiperidin-3-yl)phenyl]ethanone
CID 105477579
5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146556789
6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146556799
2-[4-[(3R)-3-cyclopropylpiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146557119
benzene-1,2-dicarboxamide;piperazine
CID 159137360
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807
3-fluoro-3-(2-methylphenyl)piperidine
CID 83818332
3-(3-cyclobutylphenyl)-3-fluoropiperidine
CID 114607384
3-fluoro-3-(4-propoxyphenyl)piperidine
CID 112562960
2-aminobenzamide;piperazine
CID 174878244

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide?
The IUPAC name of 2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide (CID 146556836) is 2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide.
What is the SMILES notation for 2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide?
The canonical SMILES for 2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide is NC(=O)c1cccc(/C=N/c2ccc(C3(F)CCCNC3)cc2)c1N.
What is the InChIKey of 2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide?
The InChIKey is HFSYSPMRHLHOLW-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-19(9-2-10-23-12-19)14-5-7-15(8-6-14)24-11-13-3-1-4-16(17(13)21)18(22)25/h1,3-8,11,23H,2,9-10,12,21H2,(H2,22,25)/b24-11+.
What are the key properties of 2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide?
2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide has a molecular weight of 340.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide is sourced from PubChem (CID 146556836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).