2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide

C19H21F2N3O4 — CID 94828042

IUPAC2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)NCc1ccco1
InChIInChI=1S/C19H21F2N3O4/c20-18(21)28-13-6-7-15-12(9-13)3-1-5-16(15)24-19(26)23-11-17(25)22-10-14-4-2-8-27-14/h2,4,6-9,16,18H,1,3,5,10-11H2,(H,22,25)(H2,23,24,26)/t16-/m0/s1
InChIKeyIZAJKDZOLFCIIN-INIZCTEOSA-N
MW393.39 g/mol
LogP2.87
Rot. Bonds7

About 2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide

2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 94828042) has the molecular formula C19H21F2N3O4 and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID94828042
Molecular FormulaC19H21F2N3O4
Molecular Weight393.39 g/mol
Exact Mass393.15
IUPAC Name2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)NCc1ccco1
InChIInChI=1S/C19H21F2N3O4/c20-18(21)28-13-6-7-15-12(9-13)3-1-5-16(15)24-19(26)23-11-17(25)22-10-14-4-2-8-27-14/h2,4,6-9,16,18H,1,3,5,10-11H2,(H,22,25)(H2,23,24,26)/t16-/m0/s1
InChIKeyIZAJKDZOLFCIIN-INIZCTEOSA-N
XLogP2.87
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 51128788
3-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-propylpropanamide
CID 86870829
2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 51291262
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
1-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454981
1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95315778
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
cis-(1S,2R)-N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95346231
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86872906
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94826773
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide (CID 94828042) is 2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide is O=C(CNC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)NCc1ccco1.
What is the InChIKey of 2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IZAJKDZOLFCIIN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21F2N3O4/c20-18(21)28-13-6-7-15-12(9-13)3-1-5-16(15)24-19(26)23-11-17(25)22-10-14-4-2-8-27-14/h2,4,6-9,16,18H,1,3,5,10-11H2,(H,22,25)(H2,23,24,26)/t16-/m0/s1.
What are the key properties of 2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide?
2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 393.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 94828042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).