N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide

C20H21FN2O3 — CID 78829079

IUPACN-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
SMILESCOc1ccc(C(NC(=O)CNC(=O)c2cccc(F)c2)C2CC2)cc1
InChIInChI=1S/C20H21FN2O3/c1-26-17-9-7-14(8-10-17)19(13-5-6-13)23-18(24)12-22-20(25)15-3-2-4-16(21)11-15/h2-4,7-11,13,19H,5-6,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyRJAICHCNTUUONG-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.83
Rot. Bonds7

About N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide

N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 78829079) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID78829079
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
SMILESCOc1ccc(C(NC(=O)CNC(=O)c2cccc(F)c2)C2CC2)cc1
InChIInChI=1S/C20H21FN2O3/c1-26-17-9-7-14(8-10-17)19(13-5-6-13)23-18(24)12-22-20(25)15-3-2-4-16(21)11-15/h2-4,7-11,13,19H,5-6,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyRJAICHCNTUUONG-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 46580126
3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 78784235
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[2-[[(R)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-3-hydroxybenzamide
CID 97309948
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 51927573
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55470366
N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 55478443
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
methyl 3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]butanoate
CID 78825239
3-(2-chloro-4-fluorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
CID 55773167

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide (CID 78829079) is N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide is COc1ccc(C(NC(=O)CNC(=O)c2cccc(F)c2)C2CC2)cc1.
What is the InChIKey of N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is RJAICHCNTUUONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-26-17-9-7-14(8-10-17)19(13-5-6-13)23-18(24)12-22-20(25)15-3-2-4-16(21)11-15/h2-4,7-11,13,19H,5-6,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 356.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 78829079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).