2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride

C14H19ClF2N2O — CID 119716489

IUPAC2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CC1)c1c(F)cccc1F.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-9(14-11(15)3-2-4-12(14)16)18-13(19)8-17-7-10-5-6-10;/h2-4,9-10,17H,5-8H2,1H3,(H,18,19);1H
InChIKeyDQTFPBPIXBEYOL-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.56
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride (PubChem CID 119716489) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride
PubChem CID119716489
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CC1)c1c(F)cccc1F.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-9(14-11(15)3-2-4-12(14)16)18-13(19)8-17-7-10-5-6-10;/h2-4,9-10,17H,5-8H2,1H3,(H,18,19);1H
InChIKeyDQTFPBPIXBEYOL-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79286334
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81361527
2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
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N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
2-(cyclopropylmethylamino)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119720123
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119815713
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54861876

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride (CID 119716489) is 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride is CC(NC(=O)CNCC1CC1)c1c(F)cccc1F.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride?
The InChIKey is DQTFPBPIXBEYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c1-9(14-11(15)3-2-4-12(14)16)18-13(19)8-17-7-10-5-6-10;/h2-4,9-10,17H,5-8H2,1H3,(H,18,19);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119716489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).