4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide

C14H19ClN2O2 — CID 82834816

IUPAC4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NCC2CCC(C)O2)c1
InChIInChI=1S/C14H19ClN2O2/c1-9-3-5-11(19-9)8-17-13-7-10(14(18)16-2)4-6-12(13)15/h4,6-7,9,11,17H,3,5,8H2,1-2H3,(H,16,18)
InChIKeyOUAXKRGQLRNWGQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.68
Rot. Bonds4

About 4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide

4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide (PubChem CID 82834816) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide
PubChem CID82834816
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NCC2CCC(C)O2)c1
InChIInChI=1S/C14H19ClN2O2/c1-9-3-5-11(19-9)8-17-13-7-10(14(18)16-2)4-6-12(13)15/h4,6-7,9,11,17H,3,5,8H2,1-2H3,(H,16,18)
InChIKeyOUAXKRGQLRNWGQ-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide
CID 60866296
4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
CID 62345627
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
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4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
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4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 43720922
4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
CID 63356726
4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide
CID 43786064
4-chloro-N-methyl-3-(thian-4-ylamino)benzamide
CID 43721059
3-chloro-4-fluoro-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82834436
methyl 4-chloro-3-(cyclopentylmethylamino)benzoate
CID 63442225
2-bromo-4-chloro-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82835785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide?
The IUPAC name of 4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide (CID 82834816) is 4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide is CNC(=O)c1ccc(Cl)c(NCC2CCC(C)O2)c1.
What is the InChIKey of 4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide?
The InChIKey is OUAXKRGQLRNWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-3-5-11(19-9)8-17-13-7-10(14(18)16-2)4-6-12(13)15/h4,6-7,9,11,17H,3,5,8H2,1-2H3,(H,16,18).
What are the key properties of 4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide?
4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide is sourced from PubChem (CID 82834816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).