N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide

C19H17ClF2N2O2 — CID 78835530

IUPACN-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(NCC(=O)N(Cc1c(F)cccc1Cl)C1CC1)c1cccc(F)c1
InChIInChI=1S/C19H17ClF2N2O2/c20-16-5-2-6-17(22)15(16)11-24(14-7-8-14)18(25)10-23-19(26)12-3-1-4-13(21)9-12/h1-6,9,14H,7-8,10-11H2,(H,23,26)
InChIKeyGJVCQLLYVHONEN-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.54
Rot. Bonds6

About N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide

N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 78835530) has the molecular formula C19H17ClF2N2O2 and a molecular weight of 378.81 g/mol. Its IUPAC name is N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID78835530
Molecular FormulaC19H17ClF2N2O2
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC NameN-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(NCC(=O)N(Cc1c(F)cccc1Cl)C1CC1)c1cccc(F)c1
InChIInChI=1S/C19H17ClF2N2O2/c20-16-5-2-6-17(22)15(16)11-24(14-7-8-14)18(25)10-23-19(26)12-3-1-4-13(21)9-12/h1-6,9,14H,7-8,10-11H2,(H,23,26)
InChIKeyGJVCQLLYVHONEN-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55491880
N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 31125148
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid
CID 120519342
N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 112994249
(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662771
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 122570529
N-[4-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 51315143
2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid
CID 60827367
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 29304745

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide (CID 78835530) is N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide is O=C(NCC(=O)N(Cc1c(F)cccc1Cl)C1CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is GJVCQLLYVHONEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O2/c20-16-5-2-6-17(22)15(16)11-24(14-7-8-14)18(25)10-23-19(26)12-3-1-4-13(21)9-12/h1-6,9,14H,7-8,10-11H2,(H,23,26).
What are the key properties of N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 378.81 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 78835530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).