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

C14H18ClF3N2O — CID 119709174

IUPAC2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCc1c(NC(=O)CNCC2CC2)cccc1C(F)(F)F.Cl
InChIInChI=1S/C14H17F3N2O.ClH/c1-9-11(14(15,16)17)3-2-4-12(9)19-13(20)8-18-7-10-5-6-10;/h2-4,10,18H,5-8H2,1H3,(H,19,20);1H
InChIKeyYBBMQCYSZPDFDI-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.37
Rot. Bonds5

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

2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 119709174) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID119709174
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILESCc1c(NC(=O)CNCC2CC2)cccc1C(F)(F)F.Cl
InChIInChI=1S/C14H17F3N2O.ClH/c1-9-11(14(15,16)17)3-2-4-12(9)19-13(20)8-18-7-10-5-6-10;/h2-4,10,18H,5-8H2,1H3,(H,19,20);1H
InChIKeyYBBMQCYSZPDFDI-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
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CID 119936226
2-(cyclopropylmethylamino)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide
CID 119810548
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CID 60843168
2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
CID 119849007
2-(cyclopropylmethylamino)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 119675331
1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086831
2-[cyclopropylmethyl-[3-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122086827
2-(cyclopropylmethylamino)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 119767799
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CID 60841919

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 119709174) is 2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride is Cc1c(NC(=O)CNCC2CC2)cccc1C(F)(F)F.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
The InChIKey is YBBMQCYSZPDFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.ClH/c1-9-11(14(15,16)17)3-2-4-12(9)19-13(20)8-18-7-10-5-6-10;/h2-4,10,18H,5-8H2,1H3,(H,19,20);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 322.76 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119709174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).