3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide

C21H18ClNO4 — CID 4033841

IUPAC3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OC
InChIInChI=1S/C21H18ClNO4/c1-25-19-13-14(12-18(22)20(19)26-2)21(24)23-15-8-10-17(11-9-15)27-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,24)
InChIKeyZIPNNRDHBDTVQY-UHFFFAOYSA-N
MW383.83 g/mol
LogP5.40
Rot. Bonds6

About 3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide

3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide (PubChem CID 4033841) has the molecular formula C21H18ClNO4 and a molecular weight of 383.83 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
PubChem CID4033841
Molecular FormulaC21H18ClNO4
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC Name3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OC
InChIInChI=1S/C21H18ClNO4/c1-25-19-13-14(12-18(22)20(19)26-2)21(24)23-15-8-10-17(11-9-15)27-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,24)
InChIKeyZIPNNRDHBDTVQY-UHFFFAOYSA-N
XLogP5.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.83
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methoxybenzamide
CID 24612595
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide (CID 4033841) is 3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide is COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide?
The InChIKey is ZIPNNRDHBDTVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4/c1-25-19-13-14(12-18(22)20(19)26-2)21(24)23-15-8-10-17(11-9-15)27-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,24).
What are the key properties of 3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide?
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide has a molecular weight of 383.83 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 4033841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).