N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide

C12H13Cl2NO — CID 88654986

IUPACN-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide
SMILESCC(C)(C=C(Cl)Cl)NC(=O)c1ccccc1
InChIInChI=1S/C12H13Cl2NO/c1-12(2,8-10(13)14)15-11(16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,15,16)
InChIKeyOWHKSMBZAVJZHL-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.51
Rot. Bonds3

About N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide

N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide (PubChem CID 88654986) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide
PubChem CID88654986
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC NameN-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide
SMILESCC(C)(C=C(Cl)Cl)NC(=O)c1ccccc1
InChIInChI=1S/C12H13Cl2NO/c1-12(2,8-10(13)14)15-11(16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,15,16)
InChIKeyOWHKSMBZAVJZHL-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
3-benzamido-2,2,3-trimethylbutanoic acid
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N-(2,2-dichloroethenyl)benzamide
CID 2131512
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
3-amino-3-benzamido-2,2-dimethylbutanoic acid
CID 70321321
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
methyl 2-benzamido-2-sulfanylpropanoate
CID 53440930
(1-benzamido-1-carboxyethyl)-triphenylphosphanium
CID 24827846
methyl (2R)-2-benzamido-2-bromo-3,3-dimethylbutanoate
CID 101241068
N-(3,3-dimethylbut-1-enyl)benzamide
CID 134831914

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide?
The IUPAC name of N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide (CID 88654986) is N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide.
What is the SMILES notation for N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide?
The canonical SMILES for N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide is CC(C)(C=C(Cl)Cl)NC(=O)c1ccccc1.
What is the InChIKey of N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide?
The InChIKey is OWHKSMBZAVJZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-12(2,8-10(13)14)15-11(16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide?
N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide has a molecular weight of 258.15 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide is sourced from PubChem (CID 88654986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).