N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide

C25H27ClN2O — CID 126572774

IUPACN-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide
SMILESCC(C)c1ncccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H27ClN2O/c1-16(2)23-22(7-6-12-27-23)19-13-18(17-8-10-21(26)11-9-17)14-20(15-19)24(29)28-25(3,4)5/h6-16H,1-5H3,(H,28,29)
InChIKeyVHKLKNKREROYHB-UHFFFAOYSA-N
MW406.96 g/mol
LogP6.72
Rot. Bonds4

About N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide

N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide (PubChem CID 126572774) has the molecular formula C25H27ClN2O and a molecular weight of 406.96 g/mol. Its IUPAC name is N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide
PubChem CID126572774
Molecular FormulaC25H27ClN2O
Molecular Weight406.96 g/mol
Exact Mass406.18
IUPAC NameN-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide
SMILESCC(C)c1ncccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H27ClN2O/c1-16(2)23-22(7-6-12-27-23)19-13-18(17-8-10-21(26)11-9-17)14-20(15-19)24(29)28-25(3,4)5/h6-16H,1-5H3,(H,28,29)
InChIKeyVHKLKNKREROYHB-UHFFFAOYSA-N
XLogP6.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide
CID 126572802
3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide
CID 126572686
N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide
CID 90162280
N-tert-butyl-3-(4-chlorophenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 122640864
2-(4-chlorophenyl)-N-(2-methyl-1-methyliminopropan-2-yl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 166683088
N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide
CID 138636702
N-tert-butyl-4-(2-chlorophenyl)benzamide
CID 174761661
N-tert-butyl-3-(4-chlorophenyl)-2-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide
CID 126754057
N-tert-butyl-2-(4-methyl-3-phosphanylphenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 166683091
3-(4-chlorophenyl)-N-(3,3-difluoro-2-methylbutan-2-yl)-5-methylbenzamide
CID 145257658
N-(2-cyanopropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyanopropan-2-yl)-3-(4-propan-2-ylpyrimidin-5-yl)-5-[4-(trifluoromethyl)phenyl]benzamide
CID 126572738
N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 11381243

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide?
The IUPAC name of N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide (CID 126572774) is N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide?
The canonical SMILES for N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide is CC(C)c1ncccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide?
The InChIKey is VHKLKNKREROYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O/c1-16(2)23-22(7-6-12-27-23)19-13-18(17-8-10-21(26)11-9-17)14-20(15-19)24(29)28-25(3,4)5/h6-16H,1-5H3,(H,28,29).
What are the key properties of N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide?
N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide has a molecular weight of 406.96 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 126572774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).