2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide

C11H7Cl2FN4O — CID 86633987

IUPAC2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide
SMILESNC(=O)c1cccc(F)c1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H7Cl2FN4O/c12-6-4-16-11(13)18-10(6)17-8-5(9(15)19)2-1-3-7(8)14/h1-4H,(H2,15,19)(H,16,17,18)
InChIKeyGXQVXTVHSSZTJO-UHFFFAOYSA-N
MW301.11 g/mol
LogP2.77
Rot. Bonds3

About 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide

2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide (PubChem CID 86633987) has the molecular formula C11H7Cl2FN4O and a molecular weight of 301.11 g/mol. Its IUPAC name is 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide.

Molecular Properties

Compound Name2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide
PubChem CID86633987
Molecular FormulaC11H7Cl2FN4O
Molecular Weight301.11 g/mol
Exact Mass300.00
IUPAC Name2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide
SMILESNC(=O)c1cccc(F)c1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H7Cl2FN4O/c12-6-4-16-11(13)18-10(6)17-8-5(9(15)19)2-1-3-7(8)14/h1-4H,(H2,15,19)(H,16,17,18)
InChIKeyGXQVXTVHSSZTJO-UHFFFAOYSA-N
XLogP2.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.11
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyanoethyl)-2-[(2,5-dichloropyrimidin-4-yl)amino]benzamide
CID 151306423
2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide
CID 86633945
3-bromo-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide
CID 86634074
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
2-[(1-tert-butylpyrazol-4-yl)amino]-4-(2-chloro-6-fluoroanilino)pyrimidine-5-carboxamide
CID 165112363
3-fluoro-2-(4-iodoanilino)benzamide
CID 175969142
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
2-amino-6-fluorobenzamide;2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-6-fluorobenzamide;5-bromo-2,4-dichloropyrimidine
CID 164953429
2-[[5-chloro-4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzamide
CID 163209589
4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
CID 150084740
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373
3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide?
The IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide (CID 86633987) is 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide.
What is the SMILES notation for 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide?
The canonical SMILES for 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide is NC(=O)c1cccc(F)c1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide?
The InChIKey is GXQVXTVHSSZTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN4O/c12-6-4-16-11(13)18-10(6)17-8-5(9(15)19)2-1-3-7(8)14/h1-4H,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide?
2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide has a molecular weight of 301.11 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide is sourced from PubChem (CID 86633987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).