N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide

C20H18BrF2N3O4 — CID 19408808

IUPACN-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cnn(COc3ccc(Br)cc3)c2)ccc1OC(F)F
InChIInChI=1S/C20H18BrF2N3O4/c1-2-28-18-9-13(3-8-17(18)30-20(22)23)19(27)25-15-10-24-26(11-15)12-29-16-6-4-14(21)5-7-16/h3-11,20H,2,12H2,1H3,(H,25,27)
InChIKeyANBFZEKYCBGXSM-UHFFFAOYSA-N
MW482.28 g/mol
LogP4.93
Rot. Bonds9

About N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide

N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide (PubChem CID 19408808) has the molecular formula C20H18BrF2N3O4 and a molecular weight of 482.28 g/mol. Its IUPAC name is N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide
PubChem CID19408808
Molecular FormulaC20H18BrF2N3O4
Molecular Weight482.28 g/mol
Exact Mass481.04
IUPAC NameN-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cnn(COc3ccc(Br)cc3)c2)ccc1OC(F)F
InChIInChI=1S/C20H18BrF2N3O4/c1-2-28-18-9-13(3-8-17(18)30-20(22)23)19(27)25-15-10-24-26(11-15)12-29-16-6-4-14(21)5-7-16/h3-11,20H,2,12H2,1H3,(H,25,27)
InChIKeyANBFZEKYCBGXSM-UHFFFAOYSA-N
XLogP4.93
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340365
5-bromo-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(difluoromethoxy)benzamide
CID 19338473
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 19410483
1-[(4-bromophenoxy)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272431
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
1-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea
CID 19445560
1-[(4-bromophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272527
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19408812
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19408700
1-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazole-3-carboxamide
CID 19271868
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 19397712

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide?
The IUPAC name of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide (CID 19408808) is N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide.
What is the SMILES notation for N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide?
The canonical SMILES for N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide is CCOc1cc(C(=O)Nc2cnn(COc3ccc(Br)cc3)c2)ccc1OC(F)F.
What is the InChIKey of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide?
The InChIKey is ANBFZEKYCBGXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrF2N3O4/c1-2-28-18-9-13(3-8-17(18)30-20(22)23)19(27)25-15-10-24-26(11-15)12-29-16-6-4-14(21)5-7-16/h3-11,20H,2,12H2,1H3,(H,25,27).
What are the key properties of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide?
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide has a molecular weight of 482.28 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide is sourced from PubChem (CID 19408808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).