2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride

C13H18ClFN2O2 — CID 119705687

IUPAC2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CNCC2CC2)cc1F.Cl
InChIInChI=1S/C13H17FN2O2.ClH/c1-18-12-5-4-10(6-11(12)14)16-13(17)8-15-7-9-2-3-9;/h4-6,9,15H,2-3,7-8H2,1H3,(H,16,17);1H
InChIKeyHRERULOHJXALBW-UHFFFAOYSA-N
MW288.75 g/mol
LogP2.19
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride (PubChem CID 119705687) has the molecular formula C13H18ClFN2O2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
PubChem CID119705687
Molecular FormulaC13H18ClFN2O2
Molecular Weight288.75 g/mol
Exact Mass288.10
IUPAC Name2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CNCC2CC2)cc1F.Cl
InChIInChI=1S/C13H17FN2O2.ClH/c1-18-12-5-4-10(6-11(12)14)16-13(17)8-15-7-9-2-3-9;/h4-6,9,15H,2-3,7-8H2,1H3,(H,16,17);1H
InChIKeyHRERULOHJXALBW-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
CID 119707226
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119717528
2-(cyclopropylmethylamino)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 119773636
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116557505
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclopropylmethylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 119802601
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride (CID 119705687) is 2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride is COc1ccc(NC(=O)CNCC2CC2)cc1F.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride?
The InChIKey is HRERULOHJXALBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2.ClH/c1-18-12-5-4-10(6-11(12)14)16-13(17)8-15-7-9-2-3-9;/h4-6,9,15H,2-3,7-8H2,1H3,(H,16,17);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride has a molecular weight of 288.75 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119705687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).