4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide

C28H20ClFN2O4 — CID 23987691

IUPAC4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C28H20ClFN2O4/c1-34-26-14-18(8-12-25(26)35-16-17-6-9-19(29)10-7-17)27(33)31-20-11-13-24-23(15-20)32-28(36-24)21-4-2-3-5-22(21)30/h2-15H,16H2,1H3,(H,31,33)
InChIKeyMTKCMJRPVXXQKD-UHFFFAOYSA-N
MW502.93 g/mol
LogP7.13
Rot. Bonds7

About 4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide

4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide (PubChem CID 23987691) has the molecular formula C28H20ClFN2O4 and a molecular weight of 502.93 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
PubChem CID23987691
Molecular FormulaC28H20ClFN2O4
Molecular Weight502.93 g/mol
Exact Mass502.11
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C28H20ClFN2O4/c1-34-26-14-18(8-12-25(26)35-16-17-6-9-19(29)10-7-17)27(33)31-20-11-13-24-23(15-20)32-28(36-24)21-4-2-3-5-22(21)30/h2-15H,16H2,1H3,(H,31,33)
InChIKeyMTKCMJRPVXXQKD-UHFFFAOYSA-N
XLogP7.13
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.93
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-ethoxy-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5346346
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 23793460
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,6-dimethoxybenzamide
CID 19630286
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethoxybenzamide
CID 1015782
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 4208368
5-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128523
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3237758

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide (CID 23987691) is 4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide?
The InChIKey is MTKCMJRPVXXQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClFN2O4/c1-34-26-14-18(8-12-25(26)35-16-17-6-9-19(29)10-7-17)27(33)31-20-11-13-24-23(15-20)32-28(36-24)21-4-2-3-5-22(21)30/h2-15H,16H2,1H3,(H,31,33).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide?
4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide has a molecular weight of 502.93 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide is sourced from PubChem (CID 23987691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).