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

C13H18ClFN2O — CID 119707226

IUPAC2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CNCC2CC2)ccc1F.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-6-11(4-5-12(9)14)16-13(17)8-15-7-10-2-3-10;/h4-6,10,15H,2-3,7-8H2,1H3,(H,16,17);1H
InChIKeyHFAJBLDCYAQKNO-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.49
Rot. Bonds5

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

2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride (PubChem CID 119707226) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
PubChem CID119707226
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CNCC2CC2)ccc1F.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-9-6-11(4-5-12(9)14)16-13(17)8-15-7-10-2-3-10;/h4-6,10,15H,2-3,7-8H2,1H3,(H,16,17);1H
InChIKeyHFAJBLDCYAQKNO-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119705687
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
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride (CID 119707226) is 2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride is Cc1cc(NC(=O)CNCC2CC2)ccc1F.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride?
The InChIKey is HFAJBLDCYAQKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-9-6-11(4-5-12(9)14)16-13(17)8-15-7-10-2-3-10;/h4-6,10,15H,2-3,7-8H2,1H3,(H,16,17);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119707226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).