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

C22H18FN5O2 — CID 55618154

IUPACN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)ccc1-n1cnnn1
InChIInChI=1S/C22H18FN5O2/c1-15-11-17(7-10-21(15)28-14-24-26-27-28)22(29)25-19-3-2-4-20(12-19)30-13-16-5-8-18(23)9-6-16/h2-12,14H,13H2,1H3,(H,25,29)
InChIKeyMBRVYBMFIZYZQD-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.94
Rot. Bonds6

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

N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 55618154) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID55618154
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)ccc1-n1cnnn1
InChIInChI=1S/C22H18FN5O2/c1-15-11-17(7-10-21(15)28-14-24-26-27-28)22(29)25-19-3-2-4-20(12-19)30-13-16-5-8-18(23)9-6-16/h2-12,14H,13H2,1H3,(H,25,29)
InChIKeyMBRVYBMFIZYZQD-UHFFFAOYSA-N
XLogP3.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55870485
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 29127859
3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 134044042
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55564171
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55564411
3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 139501079
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616979
N-(4-acetamido-3-chlorophenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 43041597
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 36722972
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide (CID 55618154) is N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)ccc1-n1cnnn1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is MBRVYBMFIZYZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-15-11-17(7-10-21(15)28-14-24-26-27-28)22(29)25-19-3-2-4-20(12-19)30-13-16-5-8-18(23)9-6-16/h2-12,14H,13H2,1H3,(H,25,29).
What are the key properties of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 403.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55618154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).