(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide

C13H19ClN2O2 — CID 124732754

IUPAC(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)C[C@@H](C)O
InChIInChI=1S/C13H19ClN2O2/c1-9(17)8-16(3)10(2)13(18)15-12-6-4-11(14)5-7-12/h4-7,9-10,17H,8H2,1-3H3,(H,15,18)/t9-,10-/m1/s1
InChIKeyJWTWRELNIWYJIX-NXEZZACHSA-N
MW270.76 g/mol
LogP1.98
Rot. Bonds5

About (2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide

(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide (PubChem CID 124732754) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
PubChem CID124732754
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)C[C@@H](C)O
InChIInChI=1S/C13H19ClN2O2/c1-9(17)8-16(3)10(2)13(18)15-12-6-4-11(14)5-7-12/h4-7,9-10,17H,8H2,1-3H3,(H,15,18)/t9-,10-/m1/s1
InChIKeyJWTWRELNIWYJIX-NXEZZACHSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 9054773
(2S)-N-(4-chlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
CID 9357109
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide
CID 9298947
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
CID 94777007
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326707
(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 2572986
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 46561693
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 21430064
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide (CID 124732754) is (2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide is C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)C[C@@H](C)O.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide?
The InChIKey is JWTWRELNIWYJIX-NXEZZACHSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(17)8-16(3)10(2)13(18)15-12-6-4-11(14)5-7-12/h4-7,9-10,17H,8H2,1-3H3,(H,15,18)/t9-,10-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide?
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide has a molecular weight of 270.76 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide is sourced from PubChem (CID 124732754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).