N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide

C17H11Cl2FN4O — CID 109268445

IUPACN-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C17H11Cl2FN4O/c18-11-4-3-7-14(15(11)19)23-16(25)10-8-21-17(22-9-10)24-13-6-2-1-5-12(13)20/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyCCHBWHJGMWFQAB-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.92
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide

N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109268445) has the molecular formula C17H11Cl2FN4O and a molecular weight of 377.21 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
PubChem CID109268445
Molecular FormulaC17H11Cl2FN4O
Molecular Weight377.21 g/mol
Exact Mass376.03
IUPAC NameN-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C17H11Cl2FN4O/c18-11-4-3-7-14(15(11)19)23-16(25)10-8-21-17(22-9-10)24-13-6-2-1-5-12(13)20/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyCCHBWHJGMWFQAB-UHFFFAOYSA-N
XLogP4.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide
CID 109270657
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
2-(2,3-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 74763642
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
2-(2-chloroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268688
2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267049
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268092
2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109268408
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide (CID 109268445) is N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1cnc(Nc2ccccc2F)nc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is CCHBWHJGMWFQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4O/c18-11-4-3-7-14(15(11)19)23-16(25)10-8-21-17(22-9-10)24-13-6-2-1-5-12(13)20/h1-9H,(H,23,25)(H,21,22,24).
What are the key properties of N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide has a molecular weight of 377.21 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).