N-[(2-chlorophenyl)methyl]pentanamide

C12H16ClNO — CID 2218154

IUPACN-[(2-chlorophenyl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-2-3-8-12(15)14-9-10-6-4-5-7-11(10)13/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyPUOFAUIBAPIVKM-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.15
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]pentanamide (PubChem CID 2218154) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]pentanamide
PubChem CID2218154
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-[(2-chlorophenyl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-2-3-8-12(15)14-9-10-6-4-5-7-11(10)13/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyPUOFAUIBAPIVKM-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.15
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]pentanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]pentanamide (CID 2218154) is N-[(2-chlorophenyl)methyl]pentanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]pentanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]pentanamide is CCCCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]pentanamide?
The InChIKey is PUOFAUIBAPIVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-3-8-12(15)14-9-10-6-4-5-7-11(10)13/h4-7H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of N-[(2-chlorophenyl)methyl]pentanamide?
N-[(2-chlorophenyl)methyl]pentanamide has a molecular weight of 225.72 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]pentanamide is sourced from PubChem (CID 2218154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).