2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C20H23ClN2O2 — CID 125171601

IUPAC2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESNCCCOc1cc(Cl)ccc1C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H23ClN2O2/c21-15-9-10-17(19(13-15)25-12-4-11-22)20(24)23-18-8-3-6-14-5-1-2-7-16(14)18/h1-2,5,7,9-10,13,18H,3-4,6,8,11-12,22H2,(H,23,24)/t18-/m1/s1
InChIKeyNZGFHERHNABIOW-GOSISDBHSA-N
MW358.87 g/mol
LogP3.88
Rot. Bonds6

About 2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 125171601) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID125171601
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESNCCCOc1cc(Cl)ccc1C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H23ClN2O2/c21-15-9-10-17(19(13-15)25-12-4-11-22)20(24)23-18-8-3-6-14-5-1-2-7-16(14)18/h1-2,5,7,9-10,13,18H,3-4,6,8,11-12,22H2,(H,23,24)/t18-/m1/s1
InChIKeyNZGFHERHNABIOW-GOSISDBHSA-N
XLogP3.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
4-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216819
5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2654690
2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 46520269
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
2-chloro-4-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2468990
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-chloro-2-hydroxybenzoate
CID 23735052
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-chloro-2-methoxybenzoate
CID 2512300
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-chloro-2-methoxybenzoate
CID 4874832

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 125171601) is 2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is NCCCOc1cc(Cl)ccc1C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is NZGFHERHNABIOW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-15-9-10-17(19(13-15)25-12-4-11-22)20(24)23-18-8-3-6-14-5-1-2-7-16(14)18/h1-2,5,7,9-10,13,18H,3-4,6,8,11-12,22H2,(H,23,24)/t18-/m1/s1.
What are the key properties of 2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 358.87 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 125171601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).