N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide

C23H18Cl2N2O3 — CID 21211496

IUPACN-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1
InChIInChI=1S/C23H18Cl2N2O3/c1-2-10-29-17-5-3-4-14(11-17)22(28)26-16-7-8-19(25)18(13-16)23-27-20-12-15(24)6-9-21(20)30-23/h3-9,11-13H,2,10H2,1H3,(H,26,28)
InChIKeyNHROFOSBZVLXJA-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.84
Rot. Bonds6

About N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide

N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide (PubChem CID 21211496) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
PubChem CID21211496
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC NameN-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1
InChIInChI=1S/C23H18Cl2N2O3/c1-2-10-29-17-5-3-4-14(11-17)22(28)26-16-7-8-19(25)18(13-16)23-27-20-12-15(24)6-9-21(20)30-23/h3-9,11-13H,2,10H2,1H3,(H,26,28)
InChIKeyNHROFOSBZVLXJA-UHFFFAOYSA-N
XLogP6.84
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 ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butoxy-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3117238
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 17110524
N-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propoxybenzamide
CID 43914788
N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propoxybenzamide
CID 23739423
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 2268437
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 23908646
N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-propoxybenzamide
CID 21213415
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide
CID 23937296
N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-ethylbenzamide
CID 3893327
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 6737667
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide
CID 23883624
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide?
The IUPAC name of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide (CID 21211496) is N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1.
What is the InChIKey of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide?
The InChIKey is NHROFOSBZVLXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-2-10-29-17-5-3-4-14(11-17)22(28)26-16-7-8-19(25)18(13-16)23-27-20-12-15(24)6-9-21(20)30-23/h3-9,11-13H,2,10H2,1H3,(H,26,28).
What are the key properties of N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide?
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide has a molecular weight of 441.31 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide is sourced from PubChem (CID 21211496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).