5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide

C16H17ClN4O2 — CID 50981802

IUPAC5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C(C)c2ccncn2)c1
InChIInChI=1S/C16H17ClN4O2/c1-10(15-6-7-18-9-19-15)21(3)16(23)13-8-12(20-11(2)22)4-5-14(13)17/h4-10H,1-3H3,(H,20,22)
InChIKeyQCOHLAJZAKABLA-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.92
Rot. Bonds4

About 5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide

5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide (PubChem CID 50981802) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
PubChem CID50981802
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C(C)c2ccncn2)c1
InChIInChI=1S/C16H17ClN4O2/c1-10(15-6-7-18-9-19-15)21(3)16(23)13-8-12(20-11(2)22)4-5-14(13)17/h4-10H,1-3H3,(H,20,22)
InChIKeyQCOHLAJZAKABLA-UHFFFAOYSA-N
XLogP2.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide
CID 46992793
N-methyl-3-phenyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 126446006
N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 45193089
4-acetamido-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571357
3-[(5-acetamido-2-chlorobenzoyl)-methylamino]propanoic acid
CID 119362546
2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 114917924
4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122565737
3-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-methyl-1-(1-pyrimidin-4-ylethyl)urea
CID 122572098
N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide
CID 124751056
N-[4-chloro-3-(dimethylamino)phenyl]acetamide
CID 19857498
N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide
CID 171386220
N-methyl-9-oxo-N-(1-pyrimidin-4-ylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 50965619

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide?
The IUPAC name of 5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide (CID 50981802) is 5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide.
What is the SMILES notation for 5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide?
The canonical SMILES for 5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide is CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C(C)c2ccncn2)c1.
What is the InChIKey of 5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide?
The InChIKey is QCOHLAJZAKABLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-10(15-6-7-18-9-19-15)21(3)16(23)13-8-12(20-11(2)22)4-5-14(13)17/h4-10H,1-3H3,(H,20,22).
What are the key properties of 5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide?
5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide has a molecular weight of 332.79 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-chloro-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide is sourced from PubChem (CID 50981802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).