4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide

C14H21ClN2O2 — CID 116501092

IUPAC4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
SMILESCOCC(C)CNc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C14H21ClN2O2/c1-10(9-19-4)8-16-13-7-11(15)5-6-12(13)14(18)17(2)3/h5-7,10,16H,8-9H2,1-4H3
InChIKeyPOCLJJVLDKDXMX-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.74
Rot. Bonds6

About 4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide

4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide (PubChem CID 116501092) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
PubChem CID116501092
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
SMILESCOCC(C)CNc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C14H21ClN2O2/c1-10(9-19-4)8-16-13-7-11(15)5-6-12(13)14(18)17(2)3/h5-7,10,16H,8-9H2,1-4H3
InChIKeyPOCLJJVLDKDXMX-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116500994
methyl 2-[5-chloro-2-(dimethylcarbamoyl)anilino]propanoate
CID 66172721
4-chloro-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116500771
4-chloro-2-(2,3-dimethoxypropylamino)benzoic acid
CID 114102004
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60843063
4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide
CID 79556557
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168597106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide (CID 116501092) is 4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide is COCC(C)CNc1cc(Cl)ccc1C(=O)N(C)C.
What is the InChIKey of 4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
The InChIKey is POCLJJVLDKDXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(9-19-4)8-16-13-7-11(15)5-6-12(13)14(18)17(2)3/h5-7,10,16H,8-9H2,1-4H3.
What are the key properties of 4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide has a molecular weight of 284.79 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 116501092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).