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

C17H19ClN2O2 — CID 23625354

IUPAC(2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(OCc2ccc(Cl)cc2)cc1)C(N)=O
InChIInChI=1S/C17H19ClN2O2/c1-12(17(19)21)20-10-13-4-8-16(9-5-13)22-11-14-2-6-15(18)7-3-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
InChIKeyJAJNPDROJVQSPW-LBPRGKRZSA-N
MW318.80 g/mol
LogP2.88
Rot. Bonds7

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

(2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide (PubChem CID 23625354) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide
PubChem CID23625354
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(OCc2ccc(Cl)cc2)cc1)C(N)=O
InChIInChI=1S/C17H19ClN2O2/c1-12(17(19)21)20-10-13-4-8-16(9-5-13)22-11-14-2-6-15(18)7-3-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
InChIKeyJAJNPDROJVQSPW-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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Related Compounds

Safinamide
CID 131682
Priralfinamide
CID 5745207
2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(S)-N2-{4-[(3-chlorobenzyl)oxy]benzyl}alaninamide
CID 10087289
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
(S)-N2-[4-(benzyloxy)benzyl]serinamide
CID 10756633
2-[4-(3-Chlorobenzyloxy)benzyl]aminoacetamide
CID 11324179
(R)-N2-{4-[(3-chlorobenzyl)oxy]benzyl}serinamide
CID 11382066
(R)-N2-{4-[(3-chlorobenzyl)oxy]benzyl}alaninamide
CID 23625205
(S)-N2-{4-[(3-chlorobenzyl)oxy]benzyl}serinamide
CID 23625507
N2-{4-[(3-fluorobenzyl)oxy]benzyl}glycinamide
CID 23625203

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide (CID 23625354) is (2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide is C[C@H](NCc1ccc(OCc2ccc(Cl)cc2)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide?
The InChIKey is JAJNPDROJVQSPW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(17(19)21)20-10-13-4-8-16(9-5-13)22-11-14-2-6-15(18)7-3-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide?
(2S)-2-[[4-[(4-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-[(4-chlorophenyl)methoxy]phenyl]methylamino]propanamide is sourced from PubChem (CID 23625354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).