N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide

C16H16ClF3N4O — CID 109262564

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H16ClF3N4O/c1-3-24(4-2)15-21-8-10(9-22-15)14(25)23-11-5-6-13(17)12(7-11)16(18,19)20/h5-9H,3-4H2,1-2H3,(H,23,25)
InChIKeyLZRFVSGRKXVBEK-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.25
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide (PubChem CID 109262564) has the molecular formula C16H16ClF3N4O and a molecular weight of 372.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide
PubChem CID109262564
Molecular FormulaC16H16ClF3N4O
Molecular Weight372.78 g/mol
Exact Mass372.10
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H16ClF3N4O/c1-3-24(4-2)15-21-8-10(9-22-15)14(25)23-11-5-6-13(17)12(7-11)16(18,19)20/h5-9H,3-4H2,1-2H3,(H,23,25)
InChIKeyLZRFVSGRKXVBEK-UHFFFAOYSA-N
XLogP4.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238984
6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109151662
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpyrazole-4-carboxamide
CID 35295297
N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262569
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253974
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152591
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 143174015
2-N-butan-2-yl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080291
ethyl 4-[[2-(diethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109262560

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide (CID 109262564) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide is CCN(CC)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide?
The InChIKey is LZRFVSGRKXVBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O/c1-3-24(4-2)15-21-8-10(9-22-15)14(25)23-11-5-6-13(17)12(7-11)16(18,19)20/h5-9H,3-4H2,1-2H3,(H,23,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide has a molecular weight of 372.78 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).