2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide

C18H15ClFN5O — CID 163209589

IUPAC2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1ncc(Cl)c(NCc2cccc(F)c2)n1
InChIInChI=1S/C18H15ClFN5O/c19-14-10-23-18(24-15-7-2-1-6-13(15)16(21)26)25-17(14)22-9-11-4-3-5-12(20)8-11/h1-8,10H,9H2,(H2,21,26)(H2,22,23,24,25)
InChIKeyLTFJLUGPEUNYQB-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.72
Rot. Bonds6

About 2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide

2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide (PubChem CID 163209589) has the molecular formula C18H15ClFN5O and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide
PubChem CID163209589
Molecular FormulaC18H15ClFN5O
Molecular Weight371.80 g/mol
Exact Mass371.09
IUPAC Name2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1ncc(Cl)c(NCc2cccc(F)c2)n1
InChIInChI=1S/C18H15ClFN5O/c19-14-10-23-18(24-15-7-2-1-6-13(15)16(21)26)25-17(14)22-9-11-4-3-5-12(20)8-11/h1-8,10H,9H2,(H2,21,26)(H2,22,23,24,25)
InChIKeyLTFJLUGPEUNYQB-UHFFFAOYSA-N
XLogP3.72
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluorophenyl)methylcarbamoylamino]benzamide
CID 108898547
2-[[5-chloro-2-(3-fluoro-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzamide
CID 90667141
4-(benzylamino)-2-[3-(carbamoylamino)anilino]pyrimidine-5-carboxamide
CID 58098627
3-[[[5-chloro-2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzamide
CID 90023236
3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 102755761
1-[4-(benzylamino)-5-chloropyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide
CID 118141236
2-[3-(3-fluorophenyl)propanoylamino]benzamide
CID 110675454
(2S)-2-[4-[[4-(benzylamino)-5-chloropyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 90023020
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713
2-[[5-chloro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide
CID 153304887
5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80788298

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide (CID 163209589) is 2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide is NC(=O)c1ccccc1Nc1ncc(Cl)c(NCc2cccc(F)c2)n1.
What is the InChIKey of 2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide?
The InChIKey is LTFJLUGPEUNYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O/c19-14-10-23-18(24-15-7-2-1-6-13(15)16(21)26)25-17(14)22-9-11-4-3-5-12(20)8-11/h1-8,10H,9H2,(H2,21,26)(H2,22,23,24,25).
What are the key properties of 2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide?
2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide has a molecular weight of 371.80 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 163209589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).