N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide

C16H20F2N2O2 — CID 102287753

IUPACN-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide
SMILESO=CNC(c1ccccc1)C(F)(F)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20F2N2O2/c17-16(18,15(22)20-13-9-5-2-6-10-13)14(19-11-21)12-7-3-1-4-8-12/h1,3-4,7-8,11,13-14H,2,5-6,9-10H2,(H,19,21)(H,20,22)
InChIKeyMWVJTRSINJOKBL-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.56
Rot. Bonds6

About N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide

N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide (PubChem CID 102287753) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide
PubChem CID102287753
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC NameN-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide
SMILESO=CNC(c1ccccc1)C(F)(F)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20F2N2O2/c17-16(18,15(22)20-13-9-5-2-6-10-13)14(19-11-21)12-7-3-1-4-8-12/h1,3-4,7-8,11,13-14H,2,5-6,9-10H2,(H,19,21)(H,20,22)
InChIKeyMWVJTRSINJOKBL-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-cyclohexyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
CID 177440145
(2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide
CID 167001986
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
N-cycloheptyl-2-phenylbutanamide
CID 2890971
1-cyclooctyl-3-[1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea;methane
CID 173354355
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide?
The IUPAC name of N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide (CID 102287753) is N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide.
What is the SMILES notation for N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide?
The canonical SMILES for N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide is O=CNC(c1ccccc1)C(F)(F)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide?
The InChIKey is MWVJTRSINJOKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-16(18,15(22)20-13-9-5-2-6-10-13)14(19-11-21)12-7-3-1-4-8-12/h1,3-4,7-8,11,13-14H,2,5-6,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide?
N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide has a molecular weight of 310.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-difluoro-3-formamido-3-phenylpropanamide is sourced from PubChem (CID 102287753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).