N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide

C21H16ClF2N3O2 — CID 123263006

IUPACN-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide
SMILESO=C(Cc1ccnc(Cl)n1)c1cccc(NC(=O)c2c(CF)cccc2CF)c1
InChIInChI=1S/C21H16ClF2N3O2/c22-21-25-8-7-17(27-21)10-18(28)13-3-2-6-16(9-13)26-20(29)19-14(11-23)4-1-5-15(19)12-24/h1-9H,10-12H2,(H,26,29)
InChIKeyCWUWTKBXIPNJEI-UHFFFAOYSA-N
MW415.83 g/mol
LogP4.75
Rot. Bonds7

About N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide

N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide (PubChem CID 123263006) has the molecular formula C21H16ClF2N3O2 and a molecular weight of 415.83 g/mol. Its IUPAC name is N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide
PubChem CID123263006
Molecular FormulaC21H16ClF2N3O2
Molecular Weight415.83 g/mol
Exact Mass415.09
IUPAC NameN-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide
SMILESO=C(Cc1ccnc(Cl)n1)c1cccc(NC(=O)c2c(CF)cccc2CF)c1
InChIInChI=1S/C21H16ClF2N3O2/c22-21-25-8-7-17(27-21)10-18(28)13-3-2-6-16(9-13)26-20(29)19-14(11-23)4-1-5-15(19)12-24/h1-9H,10-12H2,(H,26,29)
InChIKeyCWUWTKBXIPNJEI-UHFFFAOYSA-N
XLogP4.75
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.83
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-aminopropan-2-yl)phenyl]-2-(2-chloropyrimidin-4-yl)ethanone
CID 89199121
[5-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]carbamic acid
CID 87576088
2-(2-chloropyrimidin-4-yl)-1-[3-[(2,6-difluorophenyl)sulfanylamino]-4-fluorophenyl]ethanone
CID 163769693
[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]carbamic acid
CID 87589525
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
N-(3-acetylphenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220385
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308262
methyl 3-[[2-[(2-fluorophenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109305341
3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 60657143
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide?
The IUPAC name of N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide (CID 123263006) is N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide.
What is the SMILES notation for N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide?
The canonical SMILES for N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide is O=C(Cc1ccnc(Cl)n1)c1cccc(NC(=O)c2c(CF)cccc2CF)c1.
What is the InChIKey of N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide?
The InChIKey is CWUWTKBXIPNJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2N3O2/c22-21-25-8-7-17(27-21)10-18(28)13-3-2-6-16(9-13)26-20(29)19-14(11-23)4-1-5-15(19)12-24/h1-9H,10-12H2,(H,26,29).
What are the key properties of N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide?
N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide has a molecular weight of 415.83 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide is sourced from PubChem (CID 123263006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).