4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide

C20H21FN2O4 — CID 29304680

IUPAC4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)ccc1OCC(N)=O
InChIInChI=1S/C20H21FN2O4/c1-26-18-10-14(4-9-17(18)27-12-19(22)24)20(25)23(16-7-8-16)11-13-2-5-15(21)6-3-13/h2-6,9-10,16H,7-8,11-12H2,1H3,(H2,22,24)
InChIKeyIEOZOCZGGLZOIS-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.50
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide (PubChem CID 29304680) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
PubChem CID29304680
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)ccc1OCC(N)=O
InChIInChI=1S/C20H21FN2O4/c1-26-18-10-14(4-9-17(18)27-12-19(22)24)20(25)23(16-7-8-16)11-13-2-5-15(21)6-3-13/h2-6,9-10,16H,7-8,11-12H2,1H3,(H2,22,24)
InChIKeyIEOZOCZGGLZOIS-UHFFFAOYSA-N
XLogP2.50
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide
CID 22778466
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-chloro-N-cyclohexylbenzamide
CID 22779363
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-ethoxybenzamide
CID 22781242
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-propoxybenzamide
CID 22783057
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112816253
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-(2-methylpropoxy)benzamide
CID 23096416
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide
CID 38371290
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
CID 22779364

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide (CID 29304680) is 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide is COc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide?
The InChIKey is IEOZOCZGGLZOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-26-18-10-14(4-9-17(18)27-12-19(22)24)20(25)23(16-7-8-16)11-13-2-5-15(21)6-3-13/h2-6,9-10,16H,7-8,11-12H2,1H3,(H2,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide has a molecular weight of 372.40 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 29304680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).