N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide

C24H20F2N4O4 — CID 6481667

IUPACN-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(NC(=O)N[C@@H]3[C@@H]4COc5c(F)ccc(F)c5[C@@H]43)nc2)cc1
InChIInChI=1S/C24H20F2N4O4/c1-12(31)28-13-2-4-14(5-3-13)34-15-6-9-19(27-10-15)29-24(32)30-22-16-11-33-23-18(26)8-7-17(25)21(23)20(16)22/h2-10,16,20,22H,11H2,1H3,(H,28,31)(H2,27,29,30,32)/t16-,20-,22-/m1/s1
InChIKeyTUDFUCVXINCDDH-BSLALVQMSA-N
MW466.44 g/mol
LogP4.41
Rot. Bonds5

About N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide

N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide (PubChem CID 6481667) has the molecular formula C24H20F2N4O4 and a molecular weight of 466.44 g/mol. Its IUPAC name is N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide
PubChem CID6481667
Molecular FormulaC24H20F2N4O4
Molecular Weight466.44 g/mol
Exact Mass466.15
IUPAC NameN-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(NC(=O)N[C@@H]3[C@@H]4COc5c(F)ccc(F)c5[C@@H]43)nc2)cc1
InChIInChI=1S/C24H20F2N4O4/c1-12(31)28-13-2-4-14(5-3-13)34-15-6-9-19(27-10-15)29-24(32)30-22-16-11-33-23-18(26)8-7-17(25)21(23)20(16)22/h2-10,16,20,22H,11H2,1H3,(H,28,31)(H2,27,29,30,32)/t16-,20-,22-/m1/s1
InChIKeyTUDFUCVXINCDDH-BSLALVQMSA-N
XLogP4.41
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide?
The IUPAC name of N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide (CID 6481667) is N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(NC(=O)N[C@@H]3[C@@H]4COc5c(F)ccc(F)c5[C@@H]43)nc2)cc1.
What is the InChIKey of N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide?
The InChIKey is TUDFUCVXINCDDH-BSLALVQMSA-N. The full InChI is InChI=1S/C24H20F2N4O4/c1-12(31)28-13-2-4-14(5-3-13)34-15-6-9-19(27-10-15)29-24(32)30-22-16-11-33-23-18(26)8-7-17(25)21(23)20(16)22/h2-10,16,20,22H,11H2,1H3,(H,28,31)(H2,27,29,30,32)/t16-,20-,22-/m1/s1.
What are the key properties of N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide?
N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide has a molecular weight of 466.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]phenyl]acetamide is sourced from PubChem (CID 6481667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).