2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide

C22H17ClN2O3 — CID 3512132

IUPAC2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
SMILESCOc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4Cl)c3)nc2c1
InChIInChI=1S/C22H17ClN2O3/c1-13-7-8-14(22-25-19-12-15(27-2)9-10-20(19)28-22)11-18(13)24-21(26)16-5-3-4-6-17(16)23/h3-12H,1-2H3,(H,24,26)
InChIKeyUIDBLAWHTJBVAC-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.72
Rot. Bonds4

About 2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide

2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide (PubChem CID 3512132) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
PubChem CID3512132
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
SMILESCOc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4Cl)c3)nc2c1
InChIInChI=1S/C22H17ClN2O3/c1-13-7-8-14(22-25-19-12-15(27-2)9-10-20(19)28-22)11-18(13)24-21(26)16-5-3-4-6-17(16)23/h3-12H,1-2H3,(H,24,26)
InChIKeyUIDBLAWHTJBVAC-UHFFFAOYSA-N
XLogP5.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3309852
3,5-dibromo-2-methoxy-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 3995932
2-fluoro-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
CID 4270396
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23961409
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide
CID 1363611
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 3581240
N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methylbenzamide
CID 4265600
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide
CID 5027281
N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3,4-dimethylbenzamide
CID 5014240
2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23850230
2-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 21212589
2,3,5,6-tetrafluoro-4-methoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
CID 17315605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide (CID 3512132) is 2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide is COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4Cl)c3)nc2c1.
What is the InChIKey of 2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?
The InChIKey is UIDBLAWHTJBVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-13-7-8-14(22-25-19-12-15(27-2)9-10-20(19)28-22)11-18(13)24-21(26)16-5-3-4-6-17(16)23/h3-12H,1-2H3,(H,24,26).
What are the key properties of 2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?
2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide has a molecular weight of 392.84 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 3512132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).