2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide

C17H17Cl2NO — CID 105059808

IUPAC2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)(CCl)c2ccccc2)c1Cl
InChIInChI=1S/C17H17Cl2NO/c1-12-7-6-10-14(15(12)19)16(21)20-17(2,11-18)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyXLABVOFARLSLCP-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.53
Rot. Bonds4

About 2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide

2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide (PubChem CID 105059808) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
PubChem CID105059808
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)(CCl)c2ccccc2)c1Cl
InChIInChI=1S/C17H17Cl2NO/c1-12-7-6-10-14(15(12)19)16(21)20-17(2,11-18)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyXLABVOFARLSLCP-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.53
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-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 107984063
N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide
CID 105059848
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
CID 105059795
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 105059720
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
CID 105059916
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
CID 106856236
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
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
2,3-dimethyl-N-(2-phenylpropan-2-yl)benzamide
CID 47444747

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide?
The IUPAC name of 2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide (CID 105059808) is 2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide is Cc1cccc(C(=O)NC(C)(CCl)c2ccccc2)c1Cl.
What is the InChIKey of 2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide?
The InChIKey is XLABVOFARLSLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-12-7-6-10-14(15(12)19)16(21)20-17(2,11-18)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide?
2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide has a molecular weight of 322.24 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 105059808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).