N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide

C16H17ClN2O — CID 105059848

IUPACN-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC(C)(CCl)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-12-14(9-6-10-18-12)15(20)19-16(2,11-17)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyZUJZBFBGALJTES-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.27
Rot. Bonds4

About N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide

N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide (PubChem CID 105059848) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide
PubChem CID105059848
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC(C)(CCl)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-12-14(9-6-10-18-12)15(20)19-16(2,11-17)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyZUJZBFBGALJTES-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 105059720
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methylpyridine-3-carboxamide
CID 107867796
2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059808
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 107984063
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
CID 105059795
N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyrazole-3-carboxamide
CID 105059721
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
CID 106856236
N-(1-chloro-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811397
N-(1-chloro-2-phenylpropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 105059726
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide
CID 105059796
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
CID 105059916
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide (CID 105059848) is N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NC(C)(CCl)c1ccccc1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is ZUJZBFBGALJTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12-14(9-6-10-18-12)15(20)19-16(2,11-17)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide?
N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 105059848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).