N-[(2-chlorophenyl)methyl]butanamide

C11H14ClNO — CID 885659

IUPACN-[(2-chlorophenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c1-2-5-11(14)13-8-9-6-3-4-7-10(9)12/h3-4,6-7H,2,5,8H2,1H3,(H,13,14)
InChIKeyUYUNLPUCQIXOCX-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.76
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]butanamide

N-[(2-chlorophenyl)methyl]butanamide (PubChem CID 885659) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]butanamide
PubChem CID885659
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-[(2-chlorophenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c1-2-5-11(14)13-8-9-6-3-4-7-10(9)12/h3-4,6-7H,2,5,8H2,1H3,(H,13,14)
InChIKeyUYUNLPUCQIXOCX-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]butanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]butanamide (CID 885659) is N-[(2-chlorophenyl)methyl]butanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]butanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]butanamide is CCCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]butanamide?
The InChIKey is UYUNLPUCQIXOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-5-11(14)13-8-9-6-3-4-7-10(9)12/h3-4,6-7H,2,5,8H2,1H3,(H,13,14).
What are the key properties of N-[(2-chlorophenyl)methyl]butanamide?
N-[(2-chlorophenyl)methyl]butanamide has a molecular weight of 211.69 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]butanamide is sourced from PubChem (CID 885659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).