4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide

C16H16ClNO4 — CID 110778514

IUPAC4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C16H16ClNO4/c1-20-12-8-13(21-2)15(14(9-12)22-3)18-16(19)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,18,19)
InChIKeyPFSBPEYNFIJQFW-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.62
Rot. Bonds5

About 4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide

4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide (PubChem CID 110778514) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
PubChem CID110778514
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C16H16ClNO4/c1-20-12-8-13(21-2)15(14(9-12)22-3)18-16(19)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,18,19)
InChIKeyPFSBPEYNFIJQFW-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

methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate
CID 15406018
4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
CID 56782948
4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
CID 42874186
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595
2-[(4-chlorobenzoyl)amino]-3-methoxybenzamide
CID 90202953
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide
CID 31966118
4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide
CID 27253344
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
(2,4,6-trimethoxyphenyl)carbamothioic S-acid
CID 115169717
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
CID 100828622

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide?
The IUPAC name of 4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide (CID 110778514) is 4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide is COc1cc(OC)c(NC(=O)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide?
The InChIKey is PFSBPEYNFIJQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-20-12-8-13(21-2)15(14(9-12)22-3)18-16(19)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,18,19).
What are the key properties of 4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide?
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide 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 4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide is sourced from PubChem (CID 110778514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).