2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide

C18H13ClF2N4O — CID 109305444

IUPAC2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H13ClF2N4O/c19-13-9-12(5-6-15(13)21)24-18-22-8-7-16(25-18)17(26)23-10-11-3-1-2-4-14(11)20/h1-9H,10H2,(H,23,26)(H,22,24,25)
InChIKeyYNHBKLKZSRFCFI-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.08
Rot. Bonds5

About 2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide

2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109305444) has the molecular formula C18H13ClF2N4O and a molecular weight of 374.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109305444
Molecular FormulaC18H13ClF2N4O
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H13ClF2N4O/c19-13-9-12(5-6-15(13)21)24-18-22-8-7-16(25-18)17(26)23-10-11-3-1-2-4-14(11)20/h1-9H,10H2,(H,23,26)(H,22,24,25)
InChIKeyYNHBKLKZSRFCFI-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305458
2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304118
methyl 4-[[4-[(2-fluorophenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109305468
N-[(2-chlorophenyl)methyl]-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109305895
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
2-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328586
2-(3-chloro-4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304121
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305390
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109317368
2-(3-chloro-4-fluoroanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310867
2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109317339
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314987

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109305444) is 2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is O=C(NCc1ccccc1F)c1ccnc(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is YNHBKLKZSRFCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O/c19-13-9-12(5-6-15(13)21)24-18-22-8-7-16(25-18)17(26)23-10-11-3-1-2-4-14(11)20/h1-9H,10H2,(H,23,26)(H,22,24,25).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 374.78 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109305444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).