N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide

C18H15Cl2N5O — CID 112905832

IUPACN-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C18H15Cl2N5O/c1-11(26)22-14-2-4-15(5-3-14)24-18-21-7-6-17(25-18)23-16-9-12(19)8-13(20)10-16/h2-10H,1H3,(H,22,26)(H2,21,23,24,25)
InChIKeyVXGIKBUVXWGDRO-UHFFFAOYSA-N
MW388.26 g/mol
LogP5.23
Rot. Bonds5

About N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 112905832) has the molecular formula C18H15Cl2N5O and a molecular weight of 388.26 g/mol. Its IUPAC name is N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID112905832
Molecular FormulaC18H15Cl2N5O
Molecular Weight388.26 g/mol
Exact Mass387.07
IUPAC NameN-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C18H15Cl2N5O/c1-11(26)22-14-2-4-15(5-3-14)24-18-21-7-6-17(25-18)23-16-9-12(19)8-13(20)10-16/h2-10H,1H3,(H,22,26)(H2,21,23,24,25)
InChIKeyVXGIKBUVXWGDRO-UHFFFAOYSA-N
XLogP5.23
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.26
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(3-chloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112903681
N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905696
N-[4-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117094486
N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086885
N-[3-[[2-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112903173
N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905840
N-[4-[[2-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086853
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-[4-[[4-(butan-2-ylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112883612
4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902002
N-[4-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112893768
2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318283

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide (CID 112905832) is N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nccc(Nc3cc(Cl)cc(Cl)c3)n2)cc1.
What is the InChIKey of N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is VXGIKBUVXWGDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O/c1-11(26)22-14-2-4-15(5-3-14)24-18-21-7-6-17(25-18)23-16-9-12(19)8-13(20)10-16/h2-10H,1H3,(H,22,26)(H2,21,23,24,25).
What are the key properties of N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 388.26 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112905832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).