5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide

C18H21ClN2O2 — CID 875498

IUPAC5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H21ClN2O2/c1-4-21(5-2)15-9-7-14(8-10-15)20-18(22)16-12-13(19)6-11-17(16)23-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyQLBZWNIWZRCLKC-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.45
Rot. Bonds6

About 5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide

5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide (PubChem CID 875498) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide
PubChem CID875498
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H21ClN2O2/c1-4-21(5-2)15-9-7-14(8-10-15)20-18(22)16-12-13(19)6-11-17(16)23-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyQLBZWNIWZRCLKC-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide (CID 875498) is 5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide is CCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide?
The InChIKey is QLBZWNIWZRCLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-4-21(5-2)15-9-7-14(8-10-15)20-18(22)16-12-13(19)6-11-17(16)23-3/h6-12H,4-5H2,1-3H3,(H,20,22).
What are the key properties of 5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide?
5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide has a molecular weight of 332.83 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 875498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).