5-butan-2-yl-2-chlorobenzamide

C11H14ClNO — CID 129129656

IUPAC5-butan-2-yl-2-chlorobenzamide
SMILESCCC(C)c1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C11H14ClNO/c1-3-7(2)8-4-5-10(12)9(6-8)11(13)14/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyNQVKPKGABJRAEX-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.95
Rot. Bonds3

About 5-butan-2-yl-2-chlorobenzamide

5-butan-2-yl-2-chlorobenzamide (PubChem CID 129129656) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 5-butan-2-yl-2-chlorobenzamide.

Molecular Properties

Compound Name5-butan-2-yl-2-chlorobenzamide
PubChem CID129129656
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name5-butan-2-yl-2-chlorobenzamide
SMILESCCC(C)c1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C11H14ClNO/c1-3-7(2)8-4-5-10(12)9(6-8)11(13)14/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyNQVKPKGABJRAEX-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
ethyl 2-amino-5-butan-2-ylbenzoate
CID 60836112
[1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175023396
2-(4-butan-2-ylphenyl)-4-methylsulfonylbenzamide
CID 67453745
(4-butan-2-ylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82772598
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188
5-butan-2-yl-1-benzofuran-2-carboxamide
CID 155041385
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2407772
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
4-butan-2-yl-2-hydroxybenzoic acid
CID 54169876
5-(1-aminoethyl)-2-chlorobenzoic acid
CID 55271591

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-chlorobenzamide?
The IUPAC name of 5-butan-2-yl-2-chlorobenzamide (CID 129129656) is 5-butan-2-yl-2-chlorobenzamide.
What is the SMILES notation for 5-butan-2-yl-2-chlorobenzamide?
The canonical SMILES for 5-butan-2-yl-2-chlorobenzamide is CCC(C)c1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 5-butan-2-yl-2-chlorobenzamide?
The InChIKey is NQVKPKGABJRAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-7(2)8-4-5-10(12)9(6-8)11(13)14/h4-7H,3H2,1-2H3,(H2,13,14).
What are the key properties of 5-butan-2-yl-2-chlorobenzamide?
5-butan-2-yl-2-chlorobenzamide has a molecular weight of 211.69 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-chlorobenzamide is sourced from PubChem (CID 129129656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).