N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride

C16H23ClF2N2O2 — CID 119574829

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCc1ccc(OC(F)F)cc1)C1CC1.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-16(10-19,12-5-6-12)20-14(21)9-4-11-2-7-13(8-3-11)22-15(17)18;/h2-3,7-8,12,15H,4-6,9-10,19H2,1H3,(H,20,21);1H
InChIKeyXXJUUWLMLSLZKC-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.89
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119574829) has the molecular formula C16H23ClF2N2O2 and a molecular weight of 348.82 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
PubChem CID119574829
Molecular FormulaC16H23ClF2N2O2
Molecular Weight348.82 g/mol
Exact Mass348.14
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCc1ccc(OC(F)F)cc1)C1CC1.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-16(10-19,12-5-6-12)20-14(21)9-4-11-2-7-13(8-3-11)22-15(17)18;/h2-3,7-8,12,15H,4-6,9-10,19H2,1H3,(H,20,21);1H
InChIKeyXXJUUWLMLSLZKC-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119571012
N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119574022
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119572402
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(4-methylphenyl)pentanamide;hydrochloride
CID 119572987
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride
CID 119573653
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 119573465
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119573576
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
N-(1-amino-2-cyclopropylpropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide;hydrochloride
CID 119575011
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119575626
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride (CID 119574829) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride is CC(CN)(NC(=O)CCc1ccc(OC(F)F)cc1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is XXJUUWLMLSLZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2.ClH/c1-16(10-19,12-5-6-12)20-14(21)9-4-11-2-7-13(8-3-11)22-15(17)18;/h2-3,7-8,12,15H,4-6,9-10,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 348.82 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119574829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).