2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide

C13H19ClN2O2 — CID 82546908

IUPAC2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H19ClN2O2/c1-9(2)18-8-4-7-16-13(17)10-5-3-6-11(14)12(10)15/h3,5-6,9H,4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyUMGQIVRQWYYXRY-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.47
Rot. Bonds6

About 2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide

2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 82546908) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID82546908
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H19ClN2O2/c1-9(2)18-8-4-7-16-13(17)10-5-3-6-11(14)12(10)15/h3,5-6,9H,4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyUMGQIVRQWYYXRY-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006227
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308339
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113331750
2-amino-3-chloro-N-propylbenzamide
CID 80503191
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide (CID 82546908) is 2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is UMGQIVRQWYYXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)18-8-4-7-16-13(17)10-5-3-6-11(14)12(10)15/h3,5-6,9H,4,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide?
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 270.76 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 82546908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).