4-(chloromethyl)-N-phenylbenzamide

C14H12ClNO — CID 11413905

IUPAC4-(chloromethyl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(CCl)cc1
InChIInChI=1S/C14H12ClNO/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyHFNFRLAPRHDADV-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.68
Rot. Bonds3

About 4-(chloromethyl)-N-phenylbenzamide

4-(chloromethyl)-N-phenylbenzamide (PubChem CID 11413905) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-(chloromethyl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-phenylbenzamide
PubChem CID11413905
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name4-(chloromethyl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(CCl)cc1
InChIInChI=1S/C14H12ClNO/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyHFNFRLAPRHDADV-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-phenylbenzamide?
The IUPAC name of 4-(chloromethyl)-N-phenylbenzamide (CID 11413905) is 4-(chloromethyl)-N-phenylbenzamide.
What is the SMILES notation for 4-(chloromethyl)-N-phenylbenzamide?
The canonical SMILES for 4-(chloromethyl)-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-phenylbenzamide?
The InChIKey is HFNFRLAPRHDADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17).
What are the key properties of 4-(chloromethyl)-N-phenylbenzamide?
4-(chloromethyl)-N-phenylbenzamide has a molecular weight of 245.71 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-phenylbenzamide is sourced from PubChem (CID 11413905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).