4-chloro-N-(3-methylbutan-2-yl)benzamide

C12H16ClNO — CID 4263927

IUPAC4-chloro-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-8(2)9(3)14-12(15)10-4-6-11(13)7-5-10/h4-9H,1-3H3,(H,14,15)
InChIKeyJNTLIGHKJXJEPZ-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.11
Rot. Bonds3

About 4-chloro-N-(3-methylbutan-2-yl)benzamide

4-chloro-N-(3-methylbutan-2-yl)benzamide (PubChem CID 4263927) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-chloro-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylbutan-2-yl)benzamide
PubChem CID4263927
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-chloro-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-8(2)9(3)14-12(15)10-4-6-11(13)7-5-10/h4-9H,1-3H3,(H,14,15)
InChIKeyJNTLIGHKJXJEPZ-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-propan-2-ylbenzamide
CID 24045
4-acetyl-N-(3-methylbutan-2-yl)benzamide
CID 18712014
4-hydroxy-N-(3-methylbutan-2-yl)benzamide
CID 43084897
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 114305535
4-chloro-N-(1-oxopropan-2-yl)benzamide
CID 54017206
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
N-(1-bromopropan-2-yl)-4-chlorobenzamide
CID 114310647
4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
CID 7321021
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
N-[(2R)-3-methylbutan-2-yl]-4-nitrobenzamide
CID 92515236

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(3-methylbutan-2-yl)benzamide (CID 4263927) is 4-chloro-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is JNTLIGHKJXJEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8(2)9(3)14-12(15)10-4-6-11(13)7-5-10/h4-9H,1-3H3,(H,14,15).
What are the key properties of 4-chloro-N-(3-methylbutan-2-yl)benzamide?
4-chloro-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 225.72 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 4263927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).