2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide

C15H23ClN2O — CID 115540290

IUPAC2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1cccc(Cl)c1N)C(C)C
InChIInChI=1S/C15H23ClN2O/c1-4-5-6-10-18(11(2)3)15(19)12-8-7-9-13(16)14(12)17/h7-9,11H,4-6,10,17H2,1-3H3
InChIKeyOPIUYLXOGFXVAA-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.96
Rot. Bonds6

About 2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide

2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide (PubChem CID 115540290) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide
PubChem CID115540290
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1cccc(Cl)c1N)C(C)C
InChIInChI=1S/C15H23ClN2O/c1-4-5-6-10-18(11(2)3)15(19)12-8-7-9-13(16)14(12)17/h7-9,11H,4-6,10,17H2,1-3H3
InChIKeyOPIUYLXOGFXVAA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026400
2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 106501622
2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 107982464
3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide
CID 107097730
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide
CID 63659127
N-pentyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62174124
3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide
CID 112575515
2-hydrazinyl-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 62247512
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 115540587
2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide (CID 115540290) is 2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide is CCCCCN(C(=O)c1cccc(Cl)c1N)C(C)C.
What is the InChIKey of 2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide?
The InChIKey is OPIUYLXOGFXVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-5-6-10-18(11(2)3)15(19)12-8-7-9-13(16)14(12)17/h7-9,11H,4-6,10,17H2,1-3H3.
What are the key properties of 2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide?
2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide 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 2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 115540290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).