2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide

C14H14F2N4O — CID 133310012

IUPAC2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide
SMILESCc1ccnc(NCCNC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C14H14F2N4O/c1-9-5-6-18-14(20-9)19-8-7-17-13(21)12-10(15)3-2-4-11(12)16/h2-6H,7-8H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyDEPZUKXVOAJTJE-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.91
Rot. Bonds5

About 2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide

2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide (PubChem CID 133310012) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide
PubChem CID133310012
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide
SMILESCc1ccnc(NCCNC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C14H14F2N4O/c1-9-5-6-18-14(20-9)19-8-7-17-13(21)12-10(15)3-2-4-11(12)16/h2-6H,7-8H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyDEPZUKXVOAJTJE-UHFFFAOYSA-N
XLogP1.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide
CID 133309502
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide
CID 56805454
N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
CID 3309967
2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 56805447
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
2-chloro-6-fluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 42111635
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
1-[2-(2,6-difluorophenyl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 47066717
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid
CID 3515621

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide (CID 133310012) is 2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide is Cc1ccnc(NCCNC(=O)c2c(F)cccc2F)n1.
What is the InChIKey of 2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide?
The InChIKey is DEPZUKXVOAJTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-9-5-6-18-14(20-9)19-8-7-17-13(21)12-10(15)3-2-4-11(12)16/h2-6H,7-8H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide?
2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide has a molecular weight of 292.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 133310012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).