3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide

C17H18ClNO3 — CID 100552706

IUPAC3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide
SMILESCOc1ccc(C(=O)NCCOCc2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClNO3/c1-21-16-8-7-14(11-15(16)18)17(20)19-9-10-22-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyPRHSQEDPZBBHKQ-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.30
Rot. Bonds7

About 3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide

3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide (PubChem CID 100552706) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide
PubChem CID100552706
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide
SMILESCOc1ccc(C(=O)NCCOCc2ccccc2)cc1Cl
InChIInChI=1S/C17H18ClNO3/c1-21-16-8-7-14(11-15(16)18)17(20)19-9-10-22-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyPRHSQEDPZBBHKQ-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide
CID 84533270
4-[[(3-chloro-4-methoxybenzoyl)amino]methyl]benzoic acid
CID 17171911
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide
CID 100563948
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 94281483
3,5-dinitro-N-(2-phenylmethoxyethyl)benzamide
CID 563554
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
CID 86952806
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid
CID 13341006

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide (CID 100552706) is 3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide is COc1ccc(C(=O)NCCOCc2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide?
The InChIKey is PRHSQEDPZBBHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-16-8-7-14(11-15(16)18)17(20)19-9-10-22-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of 3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide?
3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide has a molecular weight of 319.79 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide is sourced from PubChem (CID 100552706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).