N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide

C17H17ClFNO — CID 105059795

IUPACN-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC(C)(CCl)c1ccccc1
InChIInChI=1S/C17H17ClFNO/c1-12-8-9-14(19)10-15(12)16(21)20-17(2,11-18)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyXGFBBPBPWIEFKS-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.02
Rot. Bonds4

About N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide

N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide (PubChem CID 105059795) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
PubChem CID105059795
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC(C)(CCl)c1ccccc1
InChIInChI=1S/C17H17ClFNO/c1-12-8-9-14(19)10-15(12)16(21)20-17(2,11-18)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyXGFBBPBPWIEFKS-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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)-2,6-difluorobenzamide
CID 105059916
N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 105059720
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide
CID 105059848
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide
CID 105059796
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059860
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
CID 106856236
N-(1-chloro-2-phenylpropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 105059726
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
N-(1-chloro-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811397

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide (CID 105059795) is N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NC(C)(CCl)c1ccccc1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide?
The InChIKey is XGFBBPBPWIEFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-12-8-9-14(19)10-15(12)16(21)20-17(2,11-18)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide?
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide has a molecular weight of 305.78 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 105059795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).