4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide

C20H19ClN4O — CID 108771194

IUPAC4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O/c1-3-14-6-9-17(24-19-10-13(2)22-12-23-19)11-18(14)25-20(26)15-4-7-16(21)8-5-15/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyIKPNGOLNIZXSFT-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.00
Rot. Bonds5

About 4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide

4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 108771194) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID108771194
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O/c1-3-14-6-9-17(24-19-10-13(2)22-12-23-19)11-18(14)25-20(26)15-4-7-16(21)8-5-15/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyIKPNGOLNIZXSFT-UHFFFAOYSA-N
XLogP5.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzamide
CID 108771190
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811736
2,4-dichloro-N-[2-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108771206
4-butoxy-3-ethoxy-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108771306
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2,6-dimethoxybenzamide
CID 108771191
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108749311
5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 108771216
methyl 2-[[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]carbamoyl]benzoate
CID 108749414
2-butan-2-yl-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108771228
(E)-3-(3,4-dichlorophenyl)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]prop-2-enamide
CID 108771250
4-(5-chloro-2-methoxyphenyl)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-oxobutanamide
CID 108749437
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108811616

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide (CID 108771194) is 4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide is CCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is IKPNGOLNIZXSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-3-14-6-9-17(24-19-10-13(2)22-12-23-19)11-18(14)25-20(26)15-4-7-16(21)8-5-15/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide?
4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 366.85 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 108771194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).