N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide

C16H16ClNO4 — CID 692739

IUPACN-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C16H16ClNO4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-6-4-11(17)5-7-12/h4-9H,1-3H3,(H,18,19)
InChIKeyODRCEQRCKPMANV-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.62
Rot. Bonds5

About N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide

N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide (PubChem CID 692739) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
PubChem CID692739
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC NameN-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C16H16ClNO4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-6-4-11(17)5-7-12/h4-9H,1-3H3,(H,18,19)
InChIKeyODRCEQRCKPMANV-UHFFFAOYSA-N
XLogP3.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 835945
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 3623294
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide (CID 692739) is N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is ODRCEQRCKPMANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-6-4-11(17)5-7-12/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide?
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 321.76 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 692739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).