N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride

C13H16Cl3FN2O — CID 119572423

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(F)c(Cl)cc1Cl)C1CC1.Cl
InChIInChI=1S/C13H15Cl2FN2O.ClH/c1-13(6-17,7-2-3-7)18-12(19)8-4-11(16)10(15)5-9(8)14;/h4-5,7H,2-3,6,17H2,1H3,(H,18,19);1H
InChIKeyPMGQKBSTDVUJFI-UHFFFAOYSA-N
MW341.64 g/mol
LogP3.41
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride (PubChem CID 119572423) has the molecular formula C13H16Cl3FN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
PubChem CID119572423
Molecular FormulaC13H16Cl3FN2O
Molecular Weight341.64 g/mol
Exact Mass340.03
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(F)c(Cl)cc1Cl)C1CC1.Cl
InChIInChI=1S/C13H15Cl2FN2O.ClH/c1-13(6-17,7-2-3-7)18-12(19)8-4-11(16)10(15)5-9(8)14;/h4-5,7H,2-3,6,17H2,1H3,(H,18,19);1H
InChIKeyPMGQKBSTDVUJFI-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide
CID 119572424
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119521536
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119573143
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride
CID 119573365
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883
N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 115307722
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119574595
N-(1-amino-2-cyclopropylpropan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119575379
N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119574662
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
CID 119575026

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride (CID 119572423) is N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride is CC(CN)(NC(=O)c1cc(F)c(Cl)cc1Cl)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride?
The InChIKey is PMGQKBSTDVUJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FN2O.ClH/c1-13(6-17,7-2-3-7)18-12(19)8-4-11(16)10(15)5-9(8)14;/h4-5,7H,2-3,6,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride has a molecular weight of 341.64 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119572423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).