N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide

C17H19F2N3O2 — CID 86796436

IUPACN-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide
SMILESN#CC(NC(=O)CNC(=O)c1cc(F)cc(F)c1)C1CCCCC1
InChIInChI=1S/C17H19F2N3O2/c18-13-6-12(7-14(19)8-13)17(24)21-10-16(23)22-15(9-20)11-4-2-1-3-5-11/h6-8,11,15H,1-5,10H2,(H,21,24)(H,22,23)
InChIKeyBHGOLRNHKDMELW-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.28
Rot. Bonds5

About N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide

N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide (PubChem CID 86796436) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide
PubChem CID86796436
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC NameN-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide
SMILESN#CC(NC(=O)CNC(=O)c1cc(F)cc(F)c1)C1CCCCC1
InChIInChI=1S/C17H19F2N3O2/c18-13-6-12(7-14(19)8-13)17(24)21-10-16(23)22-15(9-20)11-4-2-1-3-5-11/h6-8,11,15H,1-5,10H2,(H,21,24)(H,22,23)
InChIKeyBHGOLRNHKDMELW-UHFFFAOYSA-N
XLogP2.28
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 164946740
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N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
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(2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformamido)propanamide
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(2S)-2-{[(1S)-1-(4-benzoylphenyl)-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide
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[(1R)-1-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
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4-fluoro-N-(3-phenylpropyl)benzamide
CID 2164200

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide (CID 86796436) is N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide is N#CC(NC(=O)CNC(=O)c1cc(F)cc(F)c1)C1CCCCC1.
What is the InChIKey of N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide?
The InChIKey is BHGOLRNHKDMELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c18-13-6-12(7-14(19)8-13)17(24)21-10-16(23)22-15(9-20)11-4-2-1-3-5-11/h6-8,11,15H,1-5,10H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide?
N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide has a molecular weight of 335.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 86796436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).