N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide

C21H15ClFN5O2 — CID 33064509

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H15ClFN5O2/c22-19-11-17(6-9-20(19)30-12-14-2-1-3-16(23)10-14)25-21(29)15-4-7-18(8-5-15)28-13-24-26-27-28/h1-11,13H,12H2,(H,25,29)
InChIKeyDXJYXCUYTVLTSM-UHFFFAOYSA-N
MW423.84 g/mol
LogP4.29
Rot. Bonds6

About N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 33064509) has the molecular formula C21H15ClFN5O2 and a molecular weight of 423.84 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide
PubChem CID33064509
Molecular FormulaC21H15ClFN5O2
Molecular Weight423.84 g/mol
Exact Mass423.09
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C21H15ClFN5O2/c22-19-11-17(6-9-20(19)30-12-14-2-1-3-16(23)10-14)25-21(29)15-4-7-18(8-5-15)28-13-24-26-27-28/h1-11,13H,12H2,(H,25,29)
InChIKeyDXJYXCUYTVLTSM-UHFFFAOYSA-N
XLogP4.29
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.84
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide
CID 33065215
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
CID 33064342
N-(6-phenylmethoxy-3-pyridinyl)-4-(tetrazol-1-yl)benzamide
CID 55960600
N-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide
CID 156755436
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide
CID 72704750
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19401112
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55892914
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide
CID 17220216
2-[(3-chloro-4-phenylmethoxyphenyl)carbamoyl]-3,4,5,6-tetrafluorobenzoic acid
CID 51036938

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide (CID 33064509) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide is O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is DXJYXCUYTVLTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5O2/c22-19-11-17(6-9-20(19)30-12-14-2-1-3-16(23)10-14)25-21(29)15-4-7-18(8-5-15)28-13-24-26-27-28/h1-11,13H,12H2,(H,25,29).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 423.84 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 33064509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).