N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide

C27H26ClN3O3 — CID 23560143

IUPACN-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide
SMILESNCc1ccc(Cl)cc1CNC(=O)CN(C(=O)C1(O)c2ccccc2-c2ccccc21)C1CC1
InChIInChI=1S/C27H26ClN3O3/c28-19-10-9-17(14-29)18(13-19)15-30-25(32)16-31(20-11-12-20)26(33)27(34)23-7-3-1-5-21(23)22-6-2-4-8-24(22)27/h1-10,13,20,34H,11-12,14-16,29H2,(H,30,32)
InChIKeyWYZNKWGFCLNIRN-UHFFFAOYSA-N
MW475.98 g/mol
LogP3.32
Rot. Bonds7

About N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide

N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide (PubChem CID 23560143) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide
PubChem CID23560143
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC NameN-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide
SMILESNCc1ccc(Cl)cc1CNC(=O)CN(C(=O)C1(O)c2ccccc2-c2ccccc21)C1CC1
InChIInChI=1S/C27H26ClN3O3/c28-19-10-9-17(14-29)18(13-19)15-30-25(32)16-31(20-11-12-20)26(33)27(34)23-7-3-1-5-21(23)22-6-2-4-8-24(22)27/h1-10,13,20,34H,11-12,14-16,29H2,(H,30,32)
InChIKeyWYZNKWGFCLNIRN-UHFFFAOYSA-N
XLogP3.32
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(9-hydroxyfluorene-9-carbonyl)-2-methylpyrrolidin-1-ium-1-carboxamide
CID 91371753
(2S)-N-[2-(aminomethyl)-5-chlorobenzoyl]-N-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide
CID 23560063
potassium [2-(aminomethyl)-5-ethylphenyl]methyl-[[cyclopropyl-(9-hydroxyfluorene-9-carbonyl)amino]methyl]azanide
CID 142148875
(2S)-N-[[2-[[bis(2-hydroxyethyl)amino]methyl]-5-chlorophenyl]methyl]-1-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide
CID 12021268
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
(2S)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(7-chloro-5-hydroxyindeno[1,2-b]pyridine-5-carbonyl)pyrrolidine-2-carboxamide
CID 11181141
3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110923423
(2S)-1-[[5-chloro-2-[(2-hydroxyethylamino)methyl]phenyl]methyl]-N-(9-hydroxyfluorene-9-carbonyl)pyrrolidine-2-carboxamide
CID 70072555
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide
CID 75010216
(2S)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxamide
CID 23560056
N-[2-[5-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-4-methyl-6-oxopyridazin-1-yl]ethyl]-N-phenylcyclopropanecarboxamide
CID 142690649
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(pyrimidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 140695741

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide?
The IUPAC name of N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide (CID 23560143) is N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide.
What is the SMILES notation for N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide?
The canonical SMILES for N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide is NCc1ccc(Cl)cc1CNC(=O)CN(C(=O)C1(O)c2ccccc2-c2ccccc21)C1CC1.
What is the InChIKey of N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide?
The InChIKey is WYZNKWGFCLNIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c28-19-10-9-17(14-29)18(13-19)15-30-25(32)16-31(20-11-12-20)26(33)27(34)23-7-3-1-5-21(23)22-6-2-4-8-24(22)27/h1-10,13,20,34H,11-12,14-16,29H2,(H,30,32).
What are the key properties of N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide?
N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-N-cyclopropyl-9-hydroxyfluorene-9-carboxamide is sourced from PubChem (CID 23560143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).