N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide

C20H25ClN2O2 — CID 124750843

IUPACN-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCN(C)CC[C@@H](O)c1ccccc1
InChIInChI=1S/C20H25ClN2O2/c1-15-17(21)9-6-10-18(15)22-20(25)12-14-23(2)13-11-19(24)16-7-4-3-5-8-16/h3-10,19,24H,11-14H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyFAJWRGMNBMHLOX-LJQANCHMSA-N
MW360.89 g/mol
LogP4.03
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide

N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide (PubChem CID 124750843) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
PubChem CID124750843
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCN(C)CC[C@@H](O)c1ccccc1
InChIInChI=1S/C20H25ClN2O2/c1-15-17(21)9-6-10-18(15)22-20(25)12-14-23(2)13-11-19(24)16-7-4-3-5-8-16/h3-10,19,24H,11-14H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyFAJWRGMNBMHLOX-LJQANCHMSA-N
XLogP4.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782312
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
CID 3434978
N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
CID 124749856
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
3-[[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-methylamino]propanoic acid
CID 110830643
3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113115032
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide (CID 124750843) is N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide is Cc1c(Cl)cccc1NC(=O)CCN(C)CC[C@@H](O)c1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide?
The InChIKey is FAJWRGMNBMHLOX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-15-17(21)9-6-10-18(15)22-20(25)12-14-23(2)13-11-19(24)16-7-4-3-5-8-16/h3-10,19,24H,11-14H2,1-2H3,(H,22,25)/t19-/m1/s1.
What are the key properties of N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide?
N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide has a molecular weight of 360.89 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide is sourced from PubChem (CID 124750843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).