N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride

C13H17ClF2N2O — CID 119616566

IUPACN-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)Cc1cccc(F)c1F)C1CC1
InChIInChI=1S/C13H16F2N2O.ClH/c14-10-3-1-2-9(13(10)15)6-12(18)17-11(7-16)8-4-5-8;/h1-3,8,11H,4-7,16H2,(H,17,18);1H
InChIKeyLDMYNMQYKGPSIP-UHFFFAOYSA-N
MW290.74 g/mol
LogP1.78
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride (PubChem CID 119616566) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride
PubChem CID119616566
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)Cc1cccc(F)c1F)C1CC1
InChIInChI=1S/C13H16F2N2O.ClH/c14-10-3-1-2-9(13(10)15)6-12(18)17-11(7-16)8-4-5-8;/h1-3,8,11H,4-7,16H2,(H,17,18);1H
InChIKeyLDMYNMQYKGPSIP-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119591137
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
N-(2-amino-1-cyclopropylethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
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N-(2-amino-1-cyclopropylethyl)-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
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CID 119616654
N-(2-amino-1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119614077
N-(2-amino-1-cyclopropylethyl)-2,2-diphenylacetamide;hydrochloride
CID 119616015
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide
CID 119616655
2-(2,3-difluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91770411
2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide
CID 63667369
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CID 119592223

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride (CID 119616566) is N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride is Cl.NCC(NC(=O)Cc1cccc(F)c1F)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride?
The InChIKey is LDMYNMQYKGPSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c14-10-3-1-2-9(13(10)15)6-12(18)17-11(7-16)8-4-5-8;/h1-3,8,11H,4-7,16H2,(H,17,18);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119616566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).