2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide

C22H21ClN4O2 — CID 86712742

IUPAC2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCC(=O)c1cccc(Nc2ncc(Cl)c(CCc3ccccc3CC(N)=O)n2)c1
InChIInChI=1S/C22H21ClN4O2/c1-14(28)16-7-4-8-18(11-16)26-22-25-13-19(23)20(27-22)10-9-15-5-2-3-6-17(15)12-21(24)29/h2-8,11,13H,9-10,12H2,1H3,(H2,24,29)(H,25,26,27)
InChIKeyFEQIXRCCMSHRMH-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.89
Rot. Bonds8

About 2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide

2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 86712742) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID86712742
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCC(=O)c1cccc(Nc2ncc(Cl)c(CCc3ccccc3CC(N)=O)n2)c1
InChIInChI=1S/C22H21ClN4O2/c1-14(28)16-7-4-8-18(11-16)26-22-25-13-19(23)20(27-22)10-9-15-5-2-3-6-17(15)12-21(24)29/h2-8,11,13H,9-10,12H2,1H3,(H2,24,29)(H,25,26,27)
InChIKeyFEQIXRCCMSHRMH-UHFFFAOYSA-N
XLogP3.89
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[4-[2-[2-(2-amino-2-oxoethyl)phenyl]ethyl]-5-methylpyrimidin-2-yl]amino]phenyl]methylcarbamic acid
CID 90007862
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
CID 144572153
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
1-[3-[[5-(2,3-dichloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112968374
1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone
CID 82084693
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328941
5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109189885
1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone
CID 75397038
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109156880
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268941

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of 2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide (CID 86712742) is 2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide is CC(=O)c1cccc(Nc2ncc(Cl)c(CCc3ccccc3CC(N)=O)n2)c1.
What is the InChIKey of 2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is FEQIXRCCMSHRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-14(28)16-7-4-8-18(11-16)26-22-25-13-19(23)20(27-22)10-9-15-5-2-3-6-17(15)12-21(24)29/h2-8,11,13H,9-10,12H2,1H3,(H2,24,29)(H,25,26,27).
What are the key properties of 2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide?
2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 408.89 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 86712742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).