N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide

C14H13ClF2N4O — CID 56805454

IUPACN-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide
SMILESCc1nc(Cl)cc(NCCNC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C14H13ClF2N4O/c1-8-20-11(15)7-12(21-8)18-5-6-19-14(22)13-9(16)3-2-4-10(13)17/h2-4,7H,5-6H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyCZSQDSVOUYBLTM-UHFFFAOYSA-N
MW326.73 g/mol
LogP2.56
Rot. Bonds5

About N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide

N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide (PubChem CID 56805454) has the molecular formula C14H13ClF2N4O and a molecular weight of 326.73 g/mol. Its IUPAC name is N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide
PubChem CID56805454
Molecular FormulaC14H13ClF2N4O
Molecular Weight326.73 g/mol
Exact Mass326.07
IUPAC NameN-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide
SMILESCc1nc(Cl)cc(NCCNC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C14H13ClF2N4O/c1-8-20-11(15)7-12(21-8)18-5-6-19-14(22)13-9(16)3-2-4-10(13)17/h2-4,7H,5-6H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyCZSQDSVOUYBLTM-UHFFFAOYSA-N
XLogP2.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 52.56
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

2-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-6-fluorobenzamide
CID 70703873
2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 121074568
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 122293406
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide
CID 50947862
2,6-difluoro-N-[2-[(4-methylpyrimidin-2-yl)amino]ethyl]benzamide
CID 133310012
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-difluorobenzamide
CID 122293306
2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 56805447
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
1-(2,6-difluorophenyl)-3-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122308543
2,6-difluoro-N-[2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 133352853
2-chloro-6-fluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 42111635
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 60964745

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide (CID 56805454) is N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide is Cc1nc(Cl)cc(NCCNC(=O)c2c(F)cccc2F)n1.
What is the InChIKey of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide?
The InChIKey is CZSQDSVOUYBLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N4O/c1-8-20-11(15)7-12(21-8)18-5-6-19-14(22)13-9(16)3-2-4-10(13)17/h2-4,7H,5-6H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide?
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide has a molecular weight of 326.73 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 56805454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).