N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide

C16H13ClF3N7O3 — CID 168840917

IUPACN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2ccc(F)cn2)c1Cl
InChIInChI=1S/C16H13ClF3N7O3/c1-27-16(24-25-26-27)23-13(28)8-3-5-10(30-15(19)20)12(11(8)17)22-14(29)9-4-2-7(18)6-21-9/h2-6,15,25-26H,1H3,(H,22,29)(H,23,24,28)
InChIKeyBLODEWXXXYSJNE-UHFFFAOYSA-N
MW443.77 g/mol
LogP1.68
Rot. Bonds5

About N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide

N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 168840917) has the molecular formula C16H13ClF3N7O3 and a molecular weight of 443.77 g/mol. Its IUPAC name is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide
PubChem CID168840917
Molecular FormulaC16H13ClF3N7O3
Molecular Weight443.77 g/mol
Exact Mass443.07
IUPAC NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2ccc(F)cn2)c1Cl
InChIInChI=1S/C16H13ClF3N7O3/c1-27-16(24-25-26-27)23-13(28)8-3-5-10(30-15(19)20)12(11(8)17)22-14(29)9-4-2-7(18)6-21-9/h2-6,15,25-26H,1H3,(H,22,29)(H,23,24,28)
InChIKeyBLODEWXXXYSJNE-UHFFFAOYSA-N
XLogP1.68
TPSA119.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.77
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide
CID 168840906
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 168841017
2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
CID 166505074
2-chloro-3-(2,2-difluoropropanoylamino)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840922
2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide
CID 166505037
N-[2-chloro-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 168840851
2-chloro-3-[(2-ethoxyacetyl)amino]-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840996
2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide
CID 168840880
2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
CID 166505022
3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840965
2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 8778786
2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168840878

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide (CID 168840917) is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide is CN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2ccc(F)cn2)c1Cl.
What is the InChIKey of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is BLODEWXXXYSJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N7O3/c1-27-16(24-25-26-27)23-13(28)8-3-5-10(30-15(19)20)12(11(8)17)22-14(29)9-4-2-7(18)6-21-9/h2-6,15,25-26H,1H3,(H,22,29)(H,23,24,28).
What are the key properties of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide?
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 443.77 g/mol, XLogP of 1.68, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 168840917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).