N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide

C23H28FN3O3 — CID 91357944

IUPACN-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide
SMILESCOc1cc([C@@H](C)N[C@H]2CCC(c3ccc(C(=O)NCC(N)=O)cc3)C2)ccc1F
InChIInChI=1S/C23H28FN3O3/c1-14(17-8-10-20(24)21(12-17)30-2)27-19-9-7-18(11-19)15-3-5-16(6-4-15)23(29)26-13-22(25)28/h3-6,8,10,12,14,18-19,27H,7,9,11,13H2,1-2H3,(H2,25,28)(H,26,29)/t14-,18?,19+/m1/s1
InChIKeyYHLSFNGXJOAFQV-ONZWQQIVSA-N
MW413.49 g/mol
LogP3.04
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide

N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide (PubChem CID 91357944) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide
PubChem CID91357944
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide
SMILESCOc1cc([C@@H](C)N[C@H]2CCC(c3ccc(C(=O)NCC(N)=O)cc3)C2)ccc1F
InChIInChI=1S/C23H28FN3O3/c1-14(17-8-10-20(24)21(12-17)30-2)27-19-9-7-18(11-19)15-3-5-16(6-4-15)23(29)26-13-22(25)28/h3-6,8,10,12,14,18-19,27H,7,9,11,13H2,1-2H3,(H2,25,28)(H,26,29)/t14-,18?,19+/m1/s1
InChIKeyYHLSFNGXJOAFQV-ONZWQQIVSA-N
XLogP3.04
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide with MolForge

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Related Compounds

N-(2-amino-2-oxoethyl)-4-[(1R,3S)-3-[[(1R)-1-(3-fluoro-5-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide
CID 68753129
4-[3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]cyclopentyl]-N-[7-hydroxy-4-(2-hydroxyethyl)heptyl]benzamide
CID 91531453
cis-(1S,3R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-phenylcyclopentan-1-amine
CID 90768102
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[4-(2H-tetrazol-5-yl)phenyl]cyclopentan-1-amine
CID 75298646
4-[4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzoyl]piperazin-2-one
CID 91582215
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-3-(2-methylsulfonylpyrimidin-5-yl)cyclopentan-1-amine
CID 77361988
4-[(1S)-3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]cyclopentyl]-N-(cyanomethyl)benzamide
CID 90261013
[4-[(1S)-3-[(2S)-2-(4-fluoro-3-methoxyphenyl)propyl]cyclopentyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 159592094
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869
3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide
CID 115879477
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(4-methylsulfonylphenyl)cyclopentan-1-amine
CID 75298644
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 82994281

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide (CID 91357944) is N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide is COc1cc([C@@H](C)N[C@H]2CCC(c3ccc(C(=O)NCC(N)=O)cc3)C2)ccc1F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide?
The InChIKey is YHLSFNGXJOAFQV-ONZWQQIVSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-14(17-8-10-20(24)21(12-17)30-2)27-19-9-7-18(11-19)15-3-5-16(6-4-15)23(29)26-13-22(25)28/h3-6,8,10,12,14,18-19,27H,7,9,11,13H2,1-2H3,(H2,25,28)(H,26,29)/t14-,18?,19+/m1/s1.
What are the key properties of N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide has a molecular weight of 413.49 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[(3S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 91357944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).