(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide

C17H19ClN2O2 — CID 10087289

IUPAC(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O
InChIInChI=1S/C17H19ClN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
InChIKeyJFADNUHMEURSIM-LBPRGKRZSA-N
MW318.80 g/mol
LogP2.88
Rot. Bonds7

About (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide

(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide (PubChem CID 10087289) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide
PubChem CID10087289
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O
InChIInChI=1S/C17H19ClN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
InChIKeyJFADNUHMEURSIM-LBPRGKRZSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide (CID 10087289) is (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide is C[C@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide?
The InChIKey is JFADNUHMEURSIM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide?
(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide has a molecular weight of 318.80 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]propanamide is sourced from PubChem (CID 10087289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).