N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride

C19H20ClF2N3O2 — CID 120603955

IUPACN-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3O2.ClH/c20-15-6-5-11(9-16(15)21)13-10-14(13)19(26)24-17-4-2-1-3-12(17)18(25)23-8-7-22;/h1-6,9,13-14H,7-8,10,22H2,(H,23,25)(H,24,26);1H
InChIKeyLDVVEYNJCGBUEN-UHFFFAOYSA-N
MW395.84 g/mol
LogP2.82
Rot. Bonds6

About N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride (PubChem CID 120603955) has the molecular formula C19H20ClF2N3O2 and a molecular weight of 395.84 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
PubChem CID120603955
Molecular FormulaC19H20ClF2N3O2
Molecular Weight395.84 g/mol
Exact Mass395.12
IUPAC NameN-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3O2.ClH/c20-15-6-5-11(9-16(15)21)13-10-14(13)19(26)24-17-4-2-1-3-12(17)18(25)23-8-7-22;/h1-6,9,13-14H,7-8,10,22H2,(H,23,25)(H,24,26);1H
InChIKeyLDVVEYNJCGBUEN-UHFFFAOYSA-N
XLogP2.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120604140
N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603943
N-(2-aminoethyl)-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]benzamide
CID 120603302
N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
CID 107181192
N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120604335
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465816
N-(3-amino-2-methylpropyl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119997140
N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 119384164
2-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 47097713
2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119503198

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride (CID 120603955) is N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride is Cl.NCCNC(=O)c1ccccc1NC(=O)C1CC1c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride?
The InChIKey is LDVVEYNJCGBUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2.ClH/c20-15-6-5-11(9-16(15)21)13-10-14(13)19(26)24-17-4-2-1-3-12(17)18(25)23-8-7-22;/h1-6,9,13-14H,7-8,10,22H2,(H,23,25)(H,24,26);1H.
What are the key properties of N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride has a molecular weight of 395.84 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 120603955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).