2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride

C13H17ClF2N2O — CID 119767750

IUPAC2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1cccc(C(F)F)c1
InChIInChI=1S/C13H16F2N2O.ClH/c14-13(15)10-2-1-3-11(6-10)17-12(18)8-16-7-9-4-5-9;/h1-3,6,9,13,16H,4-5,7-8H2,(H,17,18);1H
InChIKeyMBNDRZIAEVTGLC-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.98
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 119767750) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID119767750
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1cccc(C(F)F)c1
InChIInChI=1S/C13H16F2N2O.ClH/c14-13(15)10-2-1-3-11(6-10)17-12(18)8-16-7-9-4-5-9;/h1-3,6,9,13,16H,4-5,7-8H2,(H,17,18);1H
InChIKeyMBNDRZIAEVTGLC-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride
CID 119883167
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
N-(3-cyclopentyloxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119714958
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133334
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 119740426
2-(cyclopropylmethylamino)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723471
2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
CID 119707226
3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
CID 115339894

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride (CID 119767750) is 2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)Nc1cccc(C(F)F)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is MBNDRZIAEVTGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c14-13(15)10-2-1-3-11(6-10)17-12(18)8-16-7-9-4-5-9;/h1-3,6,9,13,16H,4-5,7-8H2,(H,17,18);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119767750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).