4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide

C15H23ClN2O — CID 43587105

IUPAC4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10(2)8-18(9-11(3)4)15(19)13-6-5-12(17)7-14(13)16/h5-7,10-11H,8-9,17H2,1-4H3
InChIKeyKPBNVRVYIPQNRI-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.68
Rot. Bonds5

About 4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide

4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide (PubChem CID 43587105) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
PubChem CID43587105
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10(2)8-18(9-11(3)4)15(19)13-6-5-12(17)7-14(13)16/h5-7,10-11H,8-9,17H2,1-4H3
InChIKeyKPBNVRVYIPQNRI-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.68
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-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride
CID 119730930
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331
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-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 102990858
2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 103869280
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61139557
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide (CID 43587105) is 4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide is CC(C)CN(CC(C)C)C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is KPBNVRVYIPQNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10(2)8-18(9-11(3)4)15(19)13-6-5-12(17)7-14(13)16/h5-7,10-11H,8-9,17H2,1-4H3.
What are the key properties of 4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide?
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 282.81 g/mol, XLogP of 3.68, 5 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,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 43587105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).