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

C23H15ClN2O3 — CID 18284969

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C23H15ClN2O3/c1-13-17-12-15(24)8-11-19(17)28-21(13)22(27)25-16-9-6-14(7-10-16)23-26-18-4-2-3-5-20(18)29-23/h2-12H,1H3,(H,25,27)
InChIKeyHBAHXYRMUSWMDJ-UHFFFAOYSA-N
MW402.84 g/mol
LogP6.46
Rot. Bonds3

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

N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 18284969) has the molecular formula C23H15ClN2O3 and a molecular weight of 402.84 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID18284969
Molecular FormulaC23H15ClN2O3
Molecular Weight402.84 g/mol
Exact Mass402.08
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C23H15ClN2O3/c1-13-17-12-15(24)8-11-19(17)28-21(13)22(27)25-16-9-6-14(7-10-16)23-26-18-4-2-3-5-20(18)29-23/h2-12H,1H3,(H,25,27)
InChIKeyHBAHXYRMUSWMDJ-UHFFFAOYSA-N
XLogP6.46
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.84
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 2172889
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 4674669
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 18225429
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17110595
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1049579
3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 17110594
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7581232
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7578111
N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 1213657
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 18284969) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is HBAHXYRMUSWMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O3/c1-13-17-12-15(24)8-11-19(17)28-21(13)22(27)25-16-9-6-14(7-10-16)23-26-18-4-2-3-5-20(18)29-23/h2-12H,1H3,(H,25,27).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 402.84 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18284969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).