2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride

C15H21ClF2N2O2 — CID 119812552

IUPAC2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
SMILESCc1ccc(OC(F)F)c(CNC(=O)CNCC2CC2)c1.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-10-2-5-13(21-15(16)17)12(6-10)8-19-14(20)9-18-7-11-3-4-11;/h2,5-6,11,15,18H,3-4,7-9H2,1H3,(H,19,20);1H
InChIKeyOCHUCKOYCIWLFD-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.63
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride (PubChem CID 119812552) has the molecular formula C15H21ClF2N2O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
PubChem CID119812552
Molecular FormulaC15H21ClF2N2O2
Molecular Weight334.79 g/mol
Exact Mass334.13
IUPAC Name2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
SMILESCc1ccc(OC(F)F)c(CNC(=O)CNCC2CC2)c1.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-10-2-5-13(21-15(16)17)12(6-10)8-19-14(20)9-18-7-11-3-4-11;/h2,5-6,11,15,18H,3-4,7-9H2,1H3,(H,19,20);1H
InChIKeyOCHUCKOYCIWLFD-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
CID 119812554
2-(cyclopropylmethylamino)-N-[(2-methoxy-4-methylphenyl)methyl]acetamide
CID 119808693
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119811574
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119340121
3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide
CID 119812541
3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119812538
2-(cyclopropylmethylamino)-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]acetamide;hydrochloride
CID 119767848
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
3-(2-aminophenyl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]propanamide
CID 120611597
2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119716059
3-[[2-(difluoromethoxy)-5-methylphenyl]methylcarbamoylamino]propanoic acid
CID 122006016
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride (CID 119812552) is 2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride is Cc1ccc(OC(F)F)c(CNC(=O)CNCC2CC2)c1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride?
The InChIKey is OCHUCKOYCIWLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2.ClH/c1-10-2-5-13(21-15(16)17)12(6-10)8-19-14(20)9-18-7-11-3-4-11;/h2,5-6,11,15,18H,3-4,7-9H2,1H3,(H,19,20);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119812552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).