CID 140622444

C16H22FN2O — CID 140622444

IUPAC—
SMILESCNC(=O)C1CCN(Cc2cc(F)cc([C](C)C)c2)C1
InChIInChI=1S/C16H22FN2O/c1-11(2)14-6-12(7-15(17)8-14)9-19-5-4-13(10-19)16(20)18-3/h6-8,13H,4-5,9-10H2,1-3H3,(H,18,20)
InChIKeyTTZUYXSMADESHY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds4

About CID 140622444

CID 140622444 (PubChem CID 140622444) has the molecular formula C16H22FN2O and a molecular weight of 277.36 g/mol.

Molecular Properties

Compound NameCID 140622444
PubChem CID140622444
Molecular FormulaC16H22FN2O
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name—
SMILESCNC(=O)C1CCN(Cc2cc(F)cc([C](C)C)c2)C1
InChIInChI=1S/C16H22FN2O/c1-11(2)14-6-12(7-15(17)8-14)9-19-5-4-13(10-19)16(20)18-3/h6-8,13H,4-5,9-10H2,1-3H3,(H,18,20)
InChIKeyTTZUYXSMADESHY-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 140622443
CID 140622443
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 74237935
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83986150
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
CID 140622429
CID 140622429
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194899
1-[(4-carbamothioylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 103196061
1-[(3-fluoro-5-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4022885
(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 99932022
(3S)-N-methyl-1-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-3-carboxamide
CID 176929976
1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 56840367

Frequently Asked Questions

What is the IUPAC name of CID 140622444?
The IUPAC name of CID 140622444 (CID 140622444) is not available.
What is the SMILES notation for CID 140622444?
The canonical SMILES for CID 140622444 is CNC(=O)C1CCN(Cc2cc(F)cc([C](C)C)c2)C1.
What is the InChIKey of CID 140622444?
The InChIKey is TTZUYXSMADESHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN2O/c1-11(2)14-6-12(7-15(17)8-14)9-19-5-4-13(10-19)16(20)18-3/h6-8,13H,4-5,9-10H2,1-3H3,(H,18,20).
What are the key properties of CID 140622444?
CID 140622444 has a molecular weight of 277.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140622444 is sourced from PubChem (CID 140622444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).