4-chloro-N-[(4-methylphenyl)methoxy]benzamide

C15H14ClNO2 — CID 19581648

IUPAC4-chloro-N-[(4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(CONC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO2/c1-11-2-4-12(5-3-11)10-19-17-15(18)13-6-8-14(16)9-7-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyKJNRLSRCMSVWIC-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.51
Rot. Bonds4

About 4-chloro-N-[(4-methylphenyl)methoxy]benzamide

4-chloro-N-[(4-methylphenyl)methoxy]benzamide (PubChem CID 19581648) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-N-[(4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methylphenyl)methoxy]benzamide
PubChem CID19581648
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name4-chloro-N-[(4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(CONC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO2/c1-11-2-4-12(5-3-11)10-19-17-15(18)13-6-8-14(16)9-7-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyKJNRLSRCMSVWIC-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methylphenyl)methoxy]benzamide?
The IUPAC name of 4-chloro-N-[(4-methylphenyl)methoxy]benzamide (CID 19581648) is 4-chloro-N-[(4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-methylphenyl)methoxy]benzamide?
The canonical SMILES for 4-chloro-N-[(4-methylphenyl)methoxy]benzamide is Cc1ccc(CONC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[(4-methylphenyl)methoxy]benzamide?
The InChIKey is KJNRLSRCMSVWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-11-2-4-12(5-3-11)10-19-17-15(18)13-6-8-14(16)9-7-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 4-chloro-N-[(4-methylphenyl)methoxy]benzamide?
4-chloro-N-[(4-methylphenyl)methoxy]benzamide has a molecular weight of 275.74 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 19581648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).