N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide

C20H18ClN5O3 — CID 134098728

IUPACN-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC(C)=O)nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C20H18ClN5O3/c1-12(27)22-19-24-18(25-20(26-19)23-13(2)28)15-5-9-17(10-6-15)29-11-14-3-7-16(21)8-4-14/h3-10H,11H2,1-2H3,(H2,22,23,24,25,26,27,28)
InChIKeyKOZHLVPKHSPSOQ-UHFFFAOYSA-N
MW411.85 g/mol
LogP3.69
Rot. Bonds6

About N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide

N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide (PubChem CID 134098728) has the molecular formula C20H18ClN5O3 and a molecular weight of 411.85 g/mol. Its IUPAC name is N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide
PubChem CID134098728
Molecular FormulaC20H18ClN5O3
Molecular Weight411.85 g/mol
Exact Mass411.11
IUPAC NameN-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC(C)=O)nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C20H18ClN5O3/c1-12(27)22-19-24-18(25-20(26-19)23-13(2)28)15-5-9-17(10-6-15)29-11-14-3-7-16(21)8-4-14/h3-10H,11H2,1-2H3,(H2,22,23,24,25,26,27,28)
InChIKeyKOZHLVPKHSPSOQ-UHFFFAOYSA-N
XLogP3.69
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
CID 24514086
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CID 13065274
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
diethyl 4-[4-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232718
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186223
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
acetic acid;2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 45100113
N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
CID 108986374

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide (CID 134098728) is N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide is CC(=O)Nc1nc(NC(C)=O)nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide?
The InChIKey is KOZHLVPKHSPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3/c1-12(27)22-19-24-18(25-20(26-19)23-13(2)28)15-5-9-17(10-6-15)29-11-14-3-7-16(21)8-4-14/h3-10H,11H2,1-2H3,(H2,22,23,24,25,26,27,28).
What are the key properties of N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide?
N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide has a molecular weight of 411.85 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 134098728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).