4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide

C14H19ClN2O2 — CID 82727164

IUPAC4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
SMILESCC1OCCC1Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C14H19ClN2O2/c1-9-12(6-7-19-9)16-13-8-10(15)4-5-11(13)14(18)17(2)3/h4-5,8-9,12,16H,6-7H2,1-3H3
InChIKeyNWMJGLPYHYXXGY-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.63
Rot. Bonds3

About 4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide

4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide (PubChem CID 82727164) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
PubChem CID82727164
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
SMILESCC1OCCC1Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C14H19ClN2O2/c1-9-12(6-7-19-9)16-13-8-10(15)4-5-11(13)14(18)17(2)3/h4-5,8-9,12,16H,6-7H2,1-3H3
InChIKeyNWMJGLPYHYXXGY-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2-methyloxolan-3-yl)amino]benzenecarbothioamide
CID 82729339
4-chloro-2-[(2,5-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 64763247
4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
CID 43737618
4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43737654
2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 79730315
4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide
CID 65080368
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639
4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
CID 82725625
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727285
5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82739696

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide (CID 82727164) is 4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide is CC1OCCC1Nc1cc(Cl)ccc1C(=O)N(C)C.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide?
The InChIKey is NWMJGLPYHYXXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-12(6-7-19-9)16-13-8-10(15)4-5-11(13)14(18)17(2)3/h4-5,8-9,12,16H,6-7H2,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide?
4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide is sourced from PubChem (CID 82727164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).