N-(1-cyanoethyl)-3,4-difluorobenzamide

C10H8F2N2O — CID 61119063

IUPACN-(1-cyanoethyl)-3,4-difluorobenzamide
SMILESCC(C#N)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2N2O/c1-6(5-13)14-10(15)7-2-3-8(11)9(12)4-7/h2-4,6H,1H3,(H,14,15)
InChIKeyUDECMHLUWWQEFH-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.61
Rot. Bonds2

About N-(1-cyanoethyl)-3,4-difluorobenzamide

N-(1-cyanoethyl)-3,4-difluorobenzamide (PubChem CID 61119063) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is N-(1-cyanoethyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-3,4-difluorobenzamide
PubChem CID61119063
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC NameN-(1-cyanoethyl)-3,4-difluorobenzamide
SMILESCC(C#N)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2N2O/c1-6(5-13)14-10(15)7-2-3-8(11)9(12)4-7/h2-4,6H,1H3,(H,14,15)
InChIKeyUDECMHLUWWQEFH-UHFFFAOYSA-N
XLogP1.61
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyano-3-methylbutyl)-3,4-difluorobenzamide
CID 82131693
3-chloro-N-(1-cyanoethyl)-4-methylbenzamide
CID 63195497
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996859
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791
N-(1-cyanoethyl)-4-propan-2-ylbenzamide
CID 61121040
(2S)-2-[(3,4-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 42255657
N-(1-chloropropan-2-yl)-3,4-difluorobenzamide
CID 114299407
N-cyano-3,4-difluorobenzamide
CID 79195155
N-(1-cyanoethyl)-4-methoxybenzamide
CID 61119459
N-(1-cyanoethyl)-2-fluoro-4-hydroxybenzamide
CID 103941304
N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide
CID 126774589

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-3,4-difluorobenzamide?
The IUPAC name of N-(1-cyanoethyl)-3,4-difluorobenzamide (CID 61119063) is N-(1-cyanoethyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(1-cyanoethyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(1-cyanoethyl)-3,4-difluorobenzamide is CC(C#N)NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1-cyanoethyl)-3,4-difluorobenzamide?
The InChIKey is UDECMHLUWWQEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-6(5-13)14-10(15)7-2-3-8(11)9(12)4-7/h2-4,6H,1H3,(H,14,15).
What are the key properties of N-(1-cyanoethyl)-3,4-difluorobenzamide?
N-(1-cyanoethyl)-3,4-difluorobenzamide has a molecular weight of 210.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-3,4-difluorobenzamide is sourced from PubChem (CID 61119063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).