5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide

C16H17ClN2O — CID 719608

IUPAC5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-18-15-8-7-13(17)11-14(15)16(20)19-10-9-12-5-3-2-4-6-12/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyXFIBBPVYTCDNEZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.35
Rot. Bonds5

About 5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide

5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide (PubChem CID 719608) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide
PubChem CID719608
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-18-15-8-7-13(17)11-14(15)16(20)19-10-9-12-5-3-2-4-6-12/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyXFIBBPVYTCDNEZ-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide (CID 719608) is 5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide is CNc1ccc(Cl)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is XFIBBPVYTCDNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-18-15-8-7-13(17)11-14(15)16(20)19-10-9-12-5-3-2-4-6-12/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide?
5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 719608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).