N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide

C20H20FN3O3 — CID 60516608

IUPACN-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)C2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H20FN3O3/c21-16-7-5-15(6-8-16)20(9-10-20)19(27)24-11-13-1-3-14(4-2-13)18(26)23-12-17(22)25/h1-8H,9-12H2,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyOTQPXCZORVSYSQ-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.39
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide

N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide (PubChem CID 60516608) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
PubChem CID60516608
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)C2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H20FN3O3/c21-16-7-5-15(6-8-16)20(9-10-20)19(27)24-11-13-1-3-14(4-2-13)18(26)23-12-17(22)25/h1-8H,9-12H2,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyOTQPXCZORVSYSQ-UHFFFAOYSA-N
XLogP1.39
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
4-[[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]methyl]benzoic acid
CID 119128001
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246
1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438018
N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide
CID 52702994
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 55846765
1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 30806810

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide (CID 60516608) is N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide is NC(=O)CNC(=O)c1ccc(CNC(=O)C2(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The InChIKey is OTQPXCZORVSYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-16-7-5-15(6-8-16)20(9-10-20)19(27)24-11-13-1-3-14(4-2-13)18(26)23-12-17(22)25/h1-8H,9-12H2,(H2,22,25)(H,23,26)(H,24,27).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide has a molecular weight of 369.40 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide is sourced from PubChem (CID 60516608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).