5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide

C17H16ClNO3 — CID 153385786

IUPAC5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C=O)Cc1ccccc1
InChIInChI=1S/C17H16ClNO3/c1-22-16-8-7-13(18)10-15(16)17(21)19-14(11-20)9-12-5-3-2-4-6-12/h2-8,10-11,14H,9H2,1H3,(H,19,21)
InChIKeyMUTVPQNSFVGGFI-UHFFFAOYSA-N
MW317.77 g/mol
LogP2.89
Rot. Bonds6

About 5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide

5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide (PubChem CID 153385786) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide
PubChem CID153385786
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C=O)Cc1ccccc1
InChIInChI=1S/C17H16ClNO3/c1-22-16-8-7-13(18)10-15(16)17(21)19-14(11-20)9-12-5-3-2-4-6-12/h2-8,10-11,14H,9H2,1H3,(H,19,21)
InChIKeyMUTVPQNSFVGGFI-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666642
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide
CID 56728485
5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 162409385
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 93157403
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 2287612
N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
CID 7784836

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide (CID 153385786) is 5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide is COc1ccc(Cl)cc1C(=O)NC(C=O)Cc1ccccc1.
What is the InChIKey of 5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
The InChIKey is MUTVPQNSFVGGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-22-16-8-7-13(18)10-15(16)17(21)19-14(11-20)9-12-5-3-2-4-6-12/h2-8,10-11,14H,9H2,1H3,(H,19,21).
What are the key properties of 5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide?
5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide has a molecular weight of 317.77 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 153385786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).