3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide

C19H16ClF2N3O2 — CID 137453531

IUPAC3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
SMILESO=C(NCc1c(C2CC2)ccc2[nH]ncc12)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H16ClF2N3O2/c20-15-7-11(3-6-17(15)27-19(21)22)18(26)23-8-13-12(10-1-2-10)4-5-16-14(13)9-24-25-16/h3-7,9-10,19H,1-2,8H2,(H,23,26)(H,24,25)
InChIKeyADDCFWRBZXIPQZ-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.63
Rot. Bonds6

About 3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide

3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide (PubChem CID 137453531) has the molecular formula C19H16ClF2N3O2 and a molecular weight of 391.81 g/mol. Its IUPAC name is 3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
PubChem CID137453531
Molecular FormulaC19H16ClF2N3O2
Molecular Weight391.81 g/mol
Exact Mass391.09
IUPAC Name3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
SMILESO=C(NCc1c(C2CC2)ccc2[nH]ncc12)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H16ClF2N3O2/c20-15-7-11(3-6-17(15)27-19(21)22)18(26)23-8-13-12(10-1-2-10)4-5-16-14(13)9-24-25-16/h3-7,9-10,19H,1-2,8H2,(H,23,26)(H,24,25)
InChIKeyADDCFWRBZXIPQZ-UHFFFAOYSA-N
XLogP4.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of 3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide (CID 137453531) is 3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for 3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide is O=C(NCc1c(C2CC2)ccc2[nH]ncc12)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide?
The InChIKey is ADDCFWRBZXIPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O2/c20-15-7-11(3-6-17(15)27-19(21)22)18(26)23-8-13-12(10-1-2-10)4-5-16-14(13)9-24-25-16/h3-7,9-10,19H,1-2,8H2,(H,23,26)(H,24,25).
What are the key properties of 3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide?
3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide has a molecular weight of 391.81 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 137453531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).