N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide

C22H22ClN3O2 — CID 166039761

IUPACN-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide
SMILESCCc1cccc(NC(=O)c2ccccc2)c1[C@H](C)Oc1cc(Cl)cnc1N
InChIInChI=1S/C22H22ClN3O2/c1-3-15-10-7-11-18(26-22(27)16-8-5-4-6-9-16)20(15)14(2)28-19-12-17(23)13-25-21(19)24/h4-14H,3H2,1-2H3,(H2,24,25)(H,26,27)/t14-/m0/s1
InChIKeyCBGZAXARZOWWLW-AWEZNQCLSA-N
MW395.89 g/mol
LogP5.27
Rot. Bonds6

About N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide

N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide (PubChem CID 166039761) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide
PubChem CID166039761
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide
SMILESCCc1cccc(NC(=O)c2ccccc2)c1[C@H](C)Oc1cc(Cl)cnc1N
InChIInChI=1S/C22H22ClN3O2/c1-3-15-10-7-11-18(26-22(27)16-8-5-4-6-9-16)20(15)14(2)28-19-12-17(23)13-25-21(19)24/h4-14H,3H2,1-2H3,(H2,24,25)(H,26,27)/t14-/m0/s1
InChIKeyCBGZAXARZOWWLW-AWEZNQCLSA-N
XLogP5.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 139489314
N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide
CID 166039814
3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide
CID 163204610
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide
CID 166039897
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 139506738
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-3-methylsulfonylbenzamide
CID 166039818
N-(2-amino-5-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 29155614
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(1-isocyanocyclopropyl)benzamide
CID 166039827
N-[5-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-pyridinyl]-2-chloro-3-methylbenzamide
CID 166039783
N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide
CID 139489363
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxamide
CID 166039821
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-ethylbenzamide
CID 58885740

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide?
The IUPAC name of N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide (CID 166039761) is N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide.
What is the SMILES notation for N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide?
The canonical SMILES for N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide is CCc1cccc(NC(=O)c2ccccc2)c1[C@H](C)Oc1cc(Cl)cnc1N.
What is the InChIKey of N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide?
The InChIKey is CBGZAXARZOWWLW-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-3-15-10-7-11-18(26-22(27)16-8-5-4-6-9-16)20(15)14(2)28-19-12-17(23)13-25-21(19)24/h4-14H,3H2,1-2H3,(H2,24,25)(H,26,27)/t14-/m0/s1.
What are the key properties of N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide?
N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide has a molecular weight of 395.89 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide is sourced from PubChem (CID 166039761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).