2-chloro-N-[(4-methoxyphenyl)methyl]benzamide

C15H14ClNO2 — CID 668836

IUPAC2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2/c1-19-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYSYXKXJZWPWTGA-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.28
Rot. Bonds4

About 2-chloro-N-[(4-methoxyphenyl)methyl]benzamide

2-chloro-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 668836) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID668836
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2/c1-19-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYSYXKXJZWPWTGA-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(4-methoxyphenyl)methyl]benzamide (CID 668836) is 2-chloro-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is YSYXKXJZWPWTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-19-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[(4-methoxyphenyl)methyl]benzamide?
2-chloro-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 275.74 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 668836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).