N-butan-2-yl-3-chlorobenzamide

C11H14ClNO — CID 3113477

IUPACN-butan-2-yl-3-chlorobenzamide
SMILESCCC(C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyOLOWHVKHONPEBQ-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.87
Rot. Bonds3

About N-butan-2-yl-3-chlorobenzamide

N-butan-2-yl-3-chlorobenzamide (PubChem CID 3113477) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-butan-2-yl-3-chlorobenzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-chlorobenzamide
PubChem CID3113477
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-butan-2-yl-3-chlorobenzamide
SMILESCCC(C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyOLOWHVKHONPEBQ-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-chlorobenzamide?
The IUPAC name of N-butan-2-yl-3-chlorobenzamide (CID 3113477) is N-butan-2-yl-3-chlorobenzamide.
What is the SMILES notation for N-butan-2-yl-3-chlorobenzamide?
The canonical SMILES for N-butan-2-yl-3-chlorobenzamide is CCC(C)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-butan-2-yl-3-chlorobenzamide?
The InChIKey is OLOWHVKHONPEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-8(2)13-11(14)9-5-4-6-10(12)7-9/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of N-butan-2-yl-3-chlorobenzamide?
N-butan-2-yl-3-chlorobenzamide has a molecular weight of 211.69 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-chlorobenzamide is sourced from PubChem (CID 3113477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).