N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide

C14H15F2N3O2 — CID 86796409

IUPACN-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCCCN(CC#N)C(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O2/c1-2-6-19(7-5-17)13(20)9-18-14(21)11-4-3-10(15)8-12(11)16/h3-4,8H,2,6-7,9H2,1H3,(H,18,21)
InChIKeyLLVGGDLMDDCDBP-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.46
Rot. Bonds6

About N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide

N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 86796409) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID86796409
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCCCN(CC#N)C(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O2/c1-2-6-19(7-5-17)13(20)9-18-14(21)11-4-3-10(15)8-12(11)16/h3-4,8H,2,6-7,9H2,1H3,(H,18,21)
InChIKeyLLVGGDLMDDCDBP-UHFFFAOYSA-N
XLogP1.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
4-chloro-N-(cyanomethyl)-2-fluoro-N-propylbenzamide
CID 61227255
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 78838061
N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 56510929
N-[3-[benzyl(cyanomethyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55864480
2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 139013505
2-fluoro-N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656549
N-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46536513
N-(3-cyanopropyl)-2,4-difluorobenzamide
CID 62667575
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide
CID 115681928

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide (CID 86796409) is N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide is CCCN(CC#N)C(=O)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is LLVGGDLMDDCDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-2-6-19(7-5-17)13(20)9-18-14(21)11-4-3-10(15)8-12(11)16/h3-4,8H,2,6-7,9H2,1H3,(H,18,21).
What are the key properties of N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 295.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 86796409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).