2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide

C15H11ClN2O3 — CID 67407982

IUPAC2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
SMILESCOc1cccc2onc(NC(=O)c3ccccc3Cl)c12
InChIInChI=1S/C15H11ClN2O3/c1-20-11-7-4-8-12-13(11)14(18-21-12)17-15(19)9-5-2-3-6-10(9)16/h2-8H,1H3,(H,17,18,19)
InChIKeyYVCPQVAWAIPDCV-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.74
Rot. Bonds3

About 2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide

2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide (PubChem CID 67407982) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
PubChem CID67407982
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
SMILESCOc1cccc2onc(NC(=O)c3ccccc3Cl)c12
InChIInChI=1S/C15H11ClN2O3/c1-20-11-7-4-8-12-13(11)14(18-21-12)17-15(19)9-5-2-3-6-10(9)16/h2-8H,1H3,(H,17,18,19)
InChIKeyYVCPQVAWAIPDCV-UHFFFAOYSA-N
XLogP3.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392
1-[4-(diethylamino)phenyl]-3-(4-methoxy-1,2-benzoxazol-3-yl)-1-sulfanylurea
CID 87432888
2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide
CID 103093876
N-(4-chloro-1,2-benzoxazol-3-yl)-2-methylbutanamide
CID 67409017
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
methyl 2-chloro-3-methoxybenzoate
CID 10262208
3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole
CID 151096655
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041699
N-(anthracen-9-ylmethyl)-4-methoxy-1,2-benzoxazol-3-amine
CID 15982468
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide (CID 67407982) is 2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide is COc1cccc2onc(NC(=O)c3ccccc3Cl)c12.
What is the InChIKey of 2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide?
The InChIKey is YVCPQVAWAIPDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-20-11-7-4-8-12-13(11)14(18-21-12)17-15(19)9-5-2-3-6-10(9)16/h2-8H,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide?
2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide has a molecular weight of 302.72 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide is sourced from PubChem (CID 67407982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).