N-(2-chloro-1-phenylethyl)-2-methoxybenzamide

C16H16ClNO2 — CID 114300240

IUPACN-(2-chloro-1-phenylethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-20-15-10-6-5-9-13(15)16(19)18-14(11-17)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H,18,19)
InChIKeySNMDVVDSIVTLGE-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.41
Rot. Bonds5

About N-(2-chloro-1-phenylethyl)-2-methoxybenzamide

N-(2-chloro-1-phenylethyl)-2-methoxybenzamide (PubChem CID 114300240) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-2-methoxybenzamide
PubChem CID114300240
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(2-chloro-1-phenylethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-20-15-10-6-5-9-13(15)16(19)18-14(11-17)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H,18,19)
InChIKeySNMDVVDSIVTLGE-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243
N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
CID 3102871
N-(2-chloro-1-phenylethyl)-2-ethylbenzamide
CID 114300081
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214
N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide
CID 82830175
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
CID 114300077
N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113272537
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxybenzamide
CID 110278628

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-2-methoxybenzamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-2-methoxybenzamide (CID 114300240) is N-(2-chloro-1-phenylethyl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-2-methoxybenzamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-2-methoxybenzamide is COc1ccccc1C(=O)NC(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-2-methoxybenzamide?
The InChIKey is SNMDVVDSIVTLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-15-10-6-5-9-13(15)16(19)18-14(11-17)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-1-phenylethyl)-2-methoxybenzamide?
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-2-methoxybenzamide is sourced from PubChem (CID 114300240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).