2-amino-N-pentan-3-ylbenzamide;hydrochloride

C12H19ClN2O — CID 119943648

IUPAC2-amino-N-pentan-3-ylbenzamide;hydrochloride
SMILESCCC(CC)NC(=O)c1ccccc1N.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-9(4-2)14-12(15)10-7-5-6-8-11(10)13;/h5-9H,3-4,13H2,1-2H3,(H,14,15);1H
InChIKeyBBLOPQAALOOXEA-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.61
Rot. Bonds4

About 2-amino-N-pentan-3-ylbenzamide;hydrochloride

2-amino-N-pentan-3-ylbenzamide;hydrochloride (PubChem CID 119943648) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-amino-N-pentan-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-pentan-3-ylbenzamide;hydrochloride
PubChem CID119943648
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-amino-N-pentan-3-ylbenzamide;hydrochloride
SMILESCCC(CC)NC(=O)c1ccccc1N.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-9(4-2)14-12(15)10-7-5-6-8-11(10)13;/h5-9H,3-4,13H2,1-2H3,(H,14,15);1H
InChIKeyBBLOPQAALOOXEA-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.61
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

2-amino-N-hex-5-yn-3-ylbenzamide
CID 115976433
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2-amino-3-methyl-N-pentan-3-ylbenzamide
CID 16772224
3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide
CID 113495433
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833
(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
CID 25068369
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808
2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82946038

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pentan-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-amino-N-pentan-3-ylbenzamide;hydrochloride (CID 119943648) is 2-amino-N-pentan-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-pentan-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-amino-N-pentan-3-ylbenzamide;hydrochloride is CCC(CC)NC(=O)c1ccccc1N.Cl.
What is the InChIKey of 2-amino-N-pentan-3-ylbenzamide;hydrochloride?
The InChIKey is BBLOPQAALOOXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-3-9(4-2)14-12(15)10-7-5-6-8-11(10)13;/h5-9H,3-4,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-N-pentan-3-ylbenzamide;hydrochloride?
2-amino-N-pentan-3-ylbenzamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pentan-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119943648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).