2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide

C19H18Cl2N2O2 — CID 46520269

IUPAC2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CCCc2ccccc21
InChIInChI=1S/C19H18Cl2N2O2/c20-13-8-9-15(16(21)10-13)19(25)22-11-18(24)23-17-7-3-5-12-4-1-2-6-14(12)17/h1-2,4,6,8-10,17H,3,5,7,11H2,(H,22,25)(H,23,24)
InChIKeyJAHAOVLVHUDHHY-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.92
Rot. Bonds4

About 2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide

2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide (PubChem CID 46520269) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
PubChem CID46520269
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CCCc2ccccc21
InChIInChI=1S/C19H18Cl2N2O2/c20-13-8-9-15(16(21)10-13)19(25)22-11-18(24)23-17-7-3-5-12-4-1-2-6-14(12)17/h1-2,4,6,8-10,17H,3,5,7,11H2,(H,22,25)(H,23,24)
InChIKeyJAHAOVLVHUDHHY-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
CID 9216438
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
2-(4-chloro-2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100671726
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-chloro-2-hydroxybenzoate
CID 23735052
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]acetamide
CID 166276896
2-chloro-4-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2468990
4-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216819
2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125171601
N-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,2-diphenylacetamide
CID 143477934
3-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7919825
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 6596911

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide (CID 46520269) is 2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CCCc2ccccc21.
What is the InChIKey of 2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?
The InChIKey is JAHAOVLVHUDHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c20-13-8-9-15(16(21)10-13)19(25)22-11-18(24)23-17-7-3-5-12-4-1-2-6-14(12)17/h1-2,4,6,8-10,17H,3,5,7,11H2,(H,22,25)(H,23,24).
What are the key properties of 2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide?
2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide has a molecular weight of 377.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide is sourced from PubChem (CID 46520269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).