N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide

C21H22ClN3O4 — CID 172670356

IUPACN-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide
SMILESCc1ccc(C(=O)NCc2cccc(Cl)c2C)cc1NC(=O)CN1CCOC1=O
InChIInChI=1S/C21H22ClN3O4/c1-13-6-7-15(20(27)23-11-16-4-3-5-17(22)14(16)2)10-18(13)24-19(26)12-25-8-9-29-21(25)28/h3-7,10H,8-9,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySRNWCWFNCLHBHR-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.28
Rot. Bonds6

About N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide

N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide (PubChem CID 172670356) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide
PubChem CID172670356
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC NameN-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide
SMILESCc1ccc(C(=O)NCc2cccc(Cl)c2C)cc1NC(=O)CN1CCOC1=O
InChIInChI=1S/C21H22ClN3O4/c1-13-6-7-15(20(27)23-11-16-4-3-5-17(22)14(16)2)10-18(13)24-19(26)12-25-8-9-29-21(25)28/h3-7,10H,8-9,11-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySRNWCWFNCLHBHR-UHFFFAOYSA-N
XLogP3.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide (CID 172670356) is N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide is Cc1ccc(C(=O)NCc2cccc(Cl)c2C)cc1NC(=O)CN1CCOC1=O.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide?
The InChIKey is SRNWCWFNCLHBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-13-6-7-15(20(27)23-11-16-4-3-5-17(22)14(16)2)10-18(13)24-19(26)12-25-8-9-29-21(25)28/h3-7,10H,8-9,11-12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide?
N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide has a molecular weight of 415.88 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)methyl]-4-methyl-3-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 172670356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).