3-amino-2-chloro-N-hexan-3-ylbenzamide

C13H19ClN2O — CID 112575833

IUPAC3-amino-2-chloro-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-6-9(4-2)16-13(17)10-7-5-8-11(15)12(10)14/h5,7-9H,3-4,6,15H2,1-2H3,(H,16,17)
InChIKeyZRMJXRLEMPRRNL-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.23
Rot. Bonds5

About 3-amino-2-chloro-N-hexan-3-ylbenzamide

3-amino-2-chloro-N-hexan-3-ylbenzamide (PubChem CID 112575833) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-amino-2-chloro-N-hexan-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-hexan-3-ylbenzamide
PubChem CID112575833
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-amino-2-chloro-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-6-9(4-2)16-13(17)10-7-5-8-11(15)12(10)14/h5,7-9H,3-4,6,15H2,1-2H3,(H,16,17)
InChIKeyZRMJXRLEMPRRNL-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-3-yl-2-hydroxybenzamide
CID 62046226
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide
CID 113495433
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470
2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199808
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide
CID 115930534
5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide
CID 62235669
N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide
CID 107098204
3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide
CID 113402978
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-hexan-3-ylbenzamide?
The IUPAC name of 3-amino-2-chloro-N-hexan-3-ylbenzamide (CID 112575833) is 3-amino-2-chloro-N-hexan-3-ylbenzamide.
What is the SMILES notation for 3-amino-2-chloro-N-hexan-3-ylbenzamide?
The canonical SMILES for 3-amino-2-chloro-N-hexan-3-ylbenzamide is CCCC(CC)NC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-hexan-3-ylbenzamide?
The InChIKey is ZRMJXRLEMPRRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-6-9(4-2)16-13(17)10-7-5-8-11(15)12(10)14/h5,7-9H,3-4,6,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-2-chloro-N-hexan-3-ylbenzamide?
3-amino-2-chloro-N-hexan-3-ylbenzamide has a molecular weight of 254.76 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-hexan-3-ylbenzamide is sourced from PubChem (CID 112575833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).