4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride

C14H22Cl2N2O — CID 119730930

IUPAC4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)CN(C(=O)c1ccc(N)cc1Cl)C(C)C.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-9(2)8-17(10(3)4)14(18)12-6-5-11(16)7-13(12)15;/h5-7,9-10H,8,16H2,1-4H3;1H
InChIKeyTWCTUTCSQAXBKW-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.85
Rot. Bonds4

About 4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride

4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 119730930) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride
PubChem CID119730930
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)CN(C(=O)c1ccc(N)cc1Cl)C(C)C.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-9(2)8-17(10(3)4)14(18)12-6-5-11(16)7-13(12)15;/h5-7,9-10H,8,16H2,1-4H3;1H
InChIKeyTWCTUTCSQAXBKW-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
5-amino-N-(2-methylpropyl)-2-nitro-N-propan-2-ylbenzamide
CID 62185663
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81226871
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331
4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61139557
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 62921855
5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 61106628
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
CID 119722181

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride (CID 119730930) is 4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride is CC(C)CN(C(=O)c1ccc(N)cc1Cl)C(C)C.Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is TWCTUTCSQAXBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-9(2)8-17(10(3)4)14(18)12-6-5-11(16)7-13(12)15;/h5-7,9-10H,8,16H2,1-4H3;1H.
What are the key properties of 4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride?
4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119730930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).