N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide

C23H18Cl2N2O3 — CID 54858068

IUPACN-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(Cc3nc4cc(Cl)cc(Cl)c4o3)cc2)c1
InChIInChI=1S/C23H18Cl2N2O3/c1-2-29-18-5-3-4-15(11-18)23(28)26-17-8-6-14(7-9-17)10-21-27-20-13-16(24)12-19(25)22(20)30-21/h3-9,11-13H,2,10H2,1H3,(H,26,28)
InChIKeyWJLAQTZXGBSCHI-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.38
Rot. Bonds6

About N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide

N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide (PubChem CID 54858068) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
PubChem CID54858068
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC NameN-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(Cc3nc4cc(Cl)cc(Cl)c4o3)cc2)c1
InChIInChI=1S/C23H18Cl2N2O3/c1-2-29-18-5-3-4-15(11-18)23(28)26-17-8-6-14(7-9-17)10-21-27-20-13-16(24)12-19(25)22(20)30-21/h3-9,11-13H,2,10H2,1H3,(H,26,28)
InChIKeyWJLAQTZXGBSCHI-UHFFFAOYSA-N
XLogP6.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-3-propoxybenzamide
CID 54859634
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
CID 54858052
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 1365609
N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-3-ethoxybenzamide
CID 54859331
5-(4-chlorophenyl)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]furan-2-carboxamide
CID 54858044
2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858701
3-chloro-4-ethoxy-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54858294
N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 54858329
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
N-[[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 54859926
methyl N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methoxy]phenyl]carbamate
CID 18932382

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide?
The IUPAC name of N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide (CID 54858068) is N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide?
The canonical SMILES for N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2ccc(Cc3nc4cc(Cl)cc(Cl)c4o3)cc2)c1.
What is the InChIKey of N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide?
The InChIKey is WJLAQTZXGBSCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-2-29-18-5-3-4-15(11-18)23(28)26-17-8-6-14(7-9-17)10-21-27-20-13-16(24)12-19(25)22(20)30-21/h3-9,11-13H,2,10H2,1H3,(H,26,28).
What are the key properties of N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide?
N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide has a molecular weight of 441.31 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide is sourced from PubChem (CID 54858068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).