4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride

C14H21ClN2O — CID 119801690

IUPAC4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride
SMILESCC(C)C1(CNC(=O)c2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10(2)14(7-8-14)9-16-13(17)11-3-5-12(15)6-4-11;/h3-6,10H,7-9,15H2,1-2H3,(H,16,17);1H
InChIKeyNKVDOWLWQJNVMJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.86
Rot. Bonds4

About 4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride

4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride (PubChem CID 119801690) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride
PubChem CID119801690
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride
SMILESCC(C)C1(CNC(=O)c2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10(2)14(7-8-14)9-16-13(17)11-3-5-12(15)6-4-11;/h3-6,10H,7-9,15H2,1-2H3,(H,16,17);1H
InChIKeyNKVDOWLWQJNVMJ-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.86
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

4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 114113741
4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
CID 119812226
4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103873707
4-amino-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103813045
6-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 119999178
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103743847
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-6-carboxamide
CID 103743848
4-bromo-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742462
2-amino-5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 102977042
N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103742453

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride (CID 119801690) is 4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride is CC(C)C1(CNC(=O)c2ccc(N)cc2)CC1.Cl.
What is the InChIKey of 4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride?
The InChIKey is NKVDOWLWQJNVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10(2)14(7-8-14)9-16-13(17)11-3-5-12(15)6-4-11;/h3-6,10H,7-9,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride?
4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119801690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).