3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide

C16H15Cl2NO2 — CID 2788458

IUPAC3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H15Cl2NO2/c1-10(11-6-4-3-5-7-11)19-16(20)14-12(17)8-9-13(18)15(14)21-2/h3-10H,1-2H3,(H,19,20)
InChIKeyFJTMGHNVRBMXIP-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.49
Rot. Bonds4

About 3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide

3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide (PubChem CID 2788458) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide
PubChem CID2788458
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H15Cl2NO2/c1-10(11-6-4-3-5-7-11)19-16(20)14-12(17)8-9-13(18)15(14)21-2/h3-10H,1-2H3,(H,19,20)
InChIKeyFJTMGHNVRBMXIP-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 107863863
methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 166506945
3-amino-2-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 107863919
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347569
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 11654614
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide?
The IUPAC name of 3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide (CID 2788458) is 3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide is COc1c(Cl)ccc(Cl)c1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide?
The InChIKey is FJTMGHNVRBMXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-10(11-6-4-3-5-7-11)19-16(20)14-12(17)8-9-13(18)15(14)21-2/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide?
3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide has a molecular weight of 324.21 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 2788458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).