4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide

C21H26ClNO — CID 69207908

IUPAC4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide
SMILESCCC(C)(C)CC(C)c1cc(-c2ccccc2Cl)ccc1C(N)=O
InChIInChI=1S/C21H26ClNO/c1-5-21(3,4)13-14(2)18-12-15(10-11-17(18)20(23)24)16-8-6-7-9-19(16)22/h6-12,14H,5,13H2,1-4H3,(H2,23,24)
InChIKeyDKTUPJACZOWVHD-UHFFFAOYSA-N
MW343.90 g/mol
LogP6.04
Rot. Bonds6

About 4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide

4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide (PubChem CID 69207908) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide
PubChem CID69207908
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide
SMILESCCC(C)(C)CC(C)c1cc(-c2ccccc2Cl)ccc1C(N)=O
InChIInChI=1S/C21H26ClNO/c1-5-21(3,4)13-14(2)18-12-15(10-11-17(18)20(23)24)16-8-6-7-9-19(16)22/h6-12,14H,5,13H2,1-4H3,(H2,23,24)
InChIKeyDKTUPJACZOWVHD-UHFFFAOYSA-N
XLogP6.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
CID 172646458
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CID 95205129
2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide
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4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide
CID 110077573
2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186
2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide
CID 67855049
5-[2-(4,4-dimethylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 150288521
5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide
CID 137306738
5-butan-2-yl-2-chlorobenzamide
CID 129129656
methyl 2-amino-3-[4-(2-chlorophenyl)phenyl]propanoate
CID 90923119

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide?
The IUPAC name of 4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide (CID 69207908) is 4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide?
The canonical SMILES for 4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide is CCC(C)(C)CC(C)c1cc(-c2ccccc2Cl)ccc1C(N)=O.
What is the InChIKey of 4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide?
The InChIKey is DKTUPJACZOWVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO/c1-5-21(3,4)13-14(2)18-12-15(10-11-17(18)20(23)24)16-8-6-7-9-19(16)22/h6-12,14H,5,13H2,1-4H3,(H2,23,24).
What are the key properties of 4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide?
4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide has a molecular weight of 343.90 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-(4,4-dimethylhexan-2-yl)benzamide is sourced from PubChem (CID 69207908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).