N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide

C20H18F3N3O3 — CID 162614224

IUPACN-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3n2C=C[C@]2(F)CC32)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C20H18F3N3O3/c1-28-14-6-10(13-9-24-17-12-8-20(12,23)4-5-26(13)17)7-15(29-19(21)22)16(14)18(27)25-11-2-3-11/h4-7,9,11-12,19H,2-3,8H2,1H3,(H,25,27)/t12?,20-/m0/s1
InChIKeyCMXWOXMXNFLTNB-UDRWWJRQSA-N
MW405.38 g/mol
LogP3.73
Rot. Bonds6

About N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide

N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide (PubChem CID 162614224) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide
PubChem CID162614224
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3n2C=C[C@]2(F)CC32)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C20H18F3N3O3/c1-28-14-6-10(13-9-24-17-12-8-20(12,23)4-5-26(13)17)7-15(29-19(21)22)16(14)18(27)25-11-2-3-11/h4-7,9,11-12,19H,2-3,8H2,1H3,(H,25,27)/t12?,20-/m0/s1
InChIKeyCMXWOXMXNFLTNB-UDRWWJRQSA-N
XLogP3.73
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide with MolForge

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Related Compounds

CID 146370920
CID 146370920
CID 163793656
CID 163793656
CID 155545561
CID 155545561
CID 146273326
CID 146273326
CID 146275389
CID 146275389
CID 166064403
CID 166064403
CID 146370808
CID 146370808
CID 172438933
CID 172438933
CID 172439192
CID 172439192
CID 172445450
CID 172445450
CID 172446593
CID 172446593
CID 172448860
CID 172448860

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide (CID 162614224) is N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide is COc1cc(-c2cnc3n2C=C[C@]2(F)CC32)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide?
The InChIKey is CMXWOXMXNFLTNB-UDRWWJRQSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-28-14-6-10(13-9-24-17-12-8-20(12,23)4-5-26(13)17)7-15(29-19(21)22)16(14)18(27)25-11-2-3-11/h4-7,9,11-12,19H,2-3,8H2,1H3,(H,25,27)/t12?,20-/m0/s1.
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide?
N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide has a molecular weight of 405.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide is sourced from PubChem (CID 162614224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).