N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide

C18H14ClFN4O — CID 109268395

IUPACN-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C18H14ClFN4O/c1-11-8-13(19)6-7-15(11)23-17(25)12-9-21-18(22-10-12)24-16-5-3-2-4-14(16)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyQIJLVJNHOPXRBP-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.57
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide

N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109268395) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
PubChem CID109268395
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(Nc2ccccc2F)nc1
InChIInChI=1S/C18H14ClFN4O/c1-11-8-13(19)6-7-15(11)23-17(25)12-9-21-18(22-10-12)24-16-5-3-2-4-14(16)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyQIJLVJNHOPXRBP-UHFFFAOYSA-N
XLogP4.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267225
N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109269101
N-(4-chloro-2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269082
N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268447
2-(3-chloro-4-fluoroanilino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109269075
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268445
2-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265311
2-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268328

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide (CID 109268395) is N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cnc(Nc2ccccc2F)nc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is QIJLVJNHOPXRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-11-8-13(19)6-7-15(11)23-17(25)12-9-21-18(22-10-12)24-16-5-3-2-4-14(16)20/h2-10H,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).