3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide

C15H23ClN2O — CID 112575515

IUPAC3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide
SMILESCCCCN(C(=O)c1cccc(N)c1Cl)C(C)CC
InChIInChI=1S/C15H23ClN2O/c1-4-6-10-18(11(3)5-2)15(19)12-8-7-9-13(17)14(12)16/h7-9,11H,4-6,10,17H2,1-3H3
InChIKeyVGYKZXZUPAVQOQ-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.96
Rot. Bonds6

About 3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide

3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide (PubChem CID 112575515) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide
PubChem CID112575515
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide
SMILESCCCCN(C(=O)c1cccc(N)c1Cl)C(C)CC
InChIInChI=1S/C15H23ClN2O/c1-4-6-10-18(11(3)5-2)15(19)12-8-7-9-13(17)14(12)16/h7-9,11H,4-6,10,17H2,1-3H3
InChIKeyVGYKZXZUPAVQOQ-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.96
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

3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633
3-amino-2-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 112574727
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
CID 112574718
3-amino-N-butan-2-yl-N-butylthiophene-2-carboxamide
CID 61105822
2-amino-N-butan-2-yl-N-ethylbenzamide
CID 43274061
3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 115540290
N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide
CID 62177319
6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide
CID 62186029
[1-(butylamino)-1-oxopropan-2-yl] 3-amino-2-chlorobenzoate
CID 115936129
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide (CID 112575515) is 3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide is CCCCN(C(=O)c1cccc(N)c1Cl)C(C)CC.
What is the InChIKey of 3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide?
The InChIKey is VGYKZXZUPAVQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-6-10-18(11(3)5-2)15(19)12-8-7-9-13(17)14(12)16/h7-9,11H,4-6,10,17H2,1-3H3.
What are the key properties of 3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide?
3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide has a molecular weight of 282.81 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide is sourced from PubChem (CID 112575515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).