N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide

C18H21ClN2O3 — CID 99842742

IUPACN-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN[C@H](C)c1cccc(O)c1
InChIInChI=1S/C18H21ClN2O3/c1-12(13-4-3-5-15(22)10-13)20-9-8-18(23)21-16-11-14(19)6-7-17(16)24-2/h3-7,10-12,20,22H,8-9H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyMAZFNPFBKIDMEF-GFCCVEGCSA-N
MW348.83 g/mol
LogP3.73
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide (PubChem CID 99842742) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide
PubChem CID99842742
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN[C@H](C)c1cccc(O)c1
InChIInChI=1S/C18H21ClN2O3/c1-12(13-4-3-5-15(22)10-13)20-9-8-18(23)21-16-11-14(19)6-7-17(16)24-2/h3-7,10-12,20,22H,8-9H2,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyMAZFNPFBKIDMEF-GFCCVEGCSA-N
XLogP3.73
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(5-chloro-2-methoxyanilino)ethyl]phenol
CID 43193345
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
CID 119124142
N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide
CID 71981389
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 8599537
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039100
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7509869

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide (CID 99842742) is N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide is COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)c1cccc(O)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide?
The InChIKey is MAZFNPFBKIDMEF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12(13-4-3-5-15(22)10-13)20-9-8-18(23)21-16-11-14(19)6-7-17(16)24-2/h3-7,10-12,20,22H,8-9H2,1-2H3,(H,21,23)/t12-/m1/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide has a molecular weight of 348.83 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 99842742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).