(2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C19H20Cl2N2O — CID 163242495

IUPAC(2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@H](N)C(=O)NC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H20Cl2N2O/c1-11(22)19(24)23-18-9-7-13(14-4-2-3-5-15(14)18)12-6-8-16(20)17(21)10-12/h2-6,8,10-11,13,18H,7,9,22H2,1H3,(H,23,24)/t11-,13?,18?/m0/s1
InChIKeyOEJSUMGCYWQLPA-UDBNUGGLSA-N
MW363.29 g/mol
LogP4.42
Rot. Bonds3

About (2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 163242495) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID163242495
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name(2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@H](N)C(=O)NC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C19H20Cl2N2O/c1-11(22)19(24)23-18-9-7-13(14-4-2-3-5-15(14)18)12-6-8-16(20)17(21)10-12/h2-6,8,10-11,13,18H,7,9,22H2,1H3,(H,23,24)/t11-,13?,18?/m0/s1
InChIKeyOEJSUMGCYWQLPA-UDBNUGGLSA-N
XLogP4.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 163242495) is (2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is C[C@H](N)C(=O)NC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is OEJSUMGCYWQLPA-UDBNUGGLSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-11(22)19(24)23-18-9-7-13(14-4-2-3-5-15(14)18)12-6-8-16(20)17(21)10-12/h2-6,8,10-11,13,18H,7,9,22H2,1H3,(H,23,24)/t11-,13?,18?/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 363.29 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 163242495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).