2-chloro-N-(2-phenylmethoxyethyl)benzamide

C16H16ClNO2 — CID 2222859

IUPAC2-chloro-N-(2-phenylmethoxyethyl)benzamide
SMILESO=C(NCCOCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c17-15-9-5-4-8-14(15)16(19)18-10-11-20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyIGFOBOOALIBBFE-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.29
Rot. Bonds6

About 2-chloro-N-(2-phenylmethoxyethyl)benzamide

2-chloro-N-(2-phenylmethoxyethyl)benzamide (PubChem CID 2222859) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylmethoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylmethoxyethyl)benzamide
PubChem CID2222859
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-N-(2-phenylmethoxyethyl)benzamide
SMILESO=C(NCCOCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c17-15-9-5-4-8-14(15)16(19)18-10-11-20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyIGFOBOOALIBBFE-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
2-chloro-N-(2-phenoxyethyl)benzamide
CID 602767
2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 602768
2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
[2-(Cyclohexylmethylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2352738
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2363527
[1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4782886
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]benzamide;hydrochloride
CID 66976494
(2-Chloro-6-fluorophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate
CID 954137
(2,6-Dichlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 2366906
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-chlorobenzoate
CID 2381042
[2-(Benzylcarbamoylamino)-2-oxoethyl] 2-chlorobenzoate
CID 2410384

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylmethoxyethyl)benzamide?
The IUPAC name of 2-chloro-N-(2-phenylmethoxyethyl)benzamide (CID 2222859) is 2-chloro-N-(2-phenylmethoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-phenylmethoxyethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-phenylmethoxyethyl)benzamide is O=C(NCCOCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-phenylmethoxyethyl)benzamide?
The InChIKey is IGFOBOOALIBBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-15-9-5-4-8-14(15)16(19)18-10-11-20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of 2-chloro-N-(2-phenylmethoxyethyl)benzamide?
2-chloro-N-(2-phenylmethoxyethyl)benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenylmethoxyethyl)benzamide is sourced from PubChem (CID 2222859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).