N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide

C18H20ClNO2 — CID 2941174

IUPACN-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-13(2)20-18(21)15-10-8-14(9-11-15)12-22-17-7-5-4-6-16(17)19/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyVNRDIADZIQHDTQ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.45
Rot. Bonds6

About N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide

N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide (PubChem CID 2941174) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide
PubChem CID2941174
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-13(2)20-18(21)15-10-8-14(9-11-15)12-22-17-7-5-4-6-16(17)19/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyVNRDIADZIQHDTQ-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide (CID 2941174) is N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide is CCC(C)NC(=O)c1ccc(COc2ccccc2Cl)cc1.
What is the InChIKey of N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide?
The InChIKey is VNRDIADZIQHDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-13(2)20-18(21)15-10-8-14(9-11-15)12-22-17-7-5-4-6-16(17)19/h4-11,13H,3,12H2,1-2H3,(H,20,21).
What are the key properties of N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide?
N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide has a molecular weight of 317.82 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(2-chlorophenoxy)methyl]benzamide is sourced from PubChem (CID 2941174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).