4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide

C15H12ClNO3 — CID 154101050

IUPAC4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)cc2)c(C=O)c1
InChIInChI=1S/C15H12ClNO3/c1-20-13-6-7-14(11(8-13)9-18)17-15(19)10-2-4-12(16)5-3-10/h2-9H,1H3,(H,17,19)
InChIKeyKITCZINUVBGTMA-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.41
Rot. Bonds4

About 4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide

4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide (PubChem CID 154101050) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide
PubChem CID154101050
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)cc2)c(C=O)c1
InChIInChI=1S/C15H12ClNO3/c1-20-13-6-7-14(11(8-13)9-18)17-15(19)10-2-4-12(16)5-3-10/h2-9H,1H3,(H,17,19)
InChIKeyKITCZINUVBGTMA-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-formylphenyl)-4-methoxybenzamide
CID 585595
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595
N-(3-formyl-4-pyridinyl)-4-methoxybenzamide
CID 170144141
2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-4-methoxybenzaldehyde
CID 50922958
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 86605166
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 143758587
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide?
The IUPAC name of 4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide (CID 154101050) is 4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(Cl)cc2)c(C=O)c1.
What is the InChIKey of 4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide?
The InChIKey is KITCZINUVBGTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-20-13-6-7-14(11(8-13)9-18)17-15(19)10-2-4-12(16)5-3-10/h2-9H,1H3,(H,17,19).
What are the key properties of 4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide?
4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide has a molecular weight of 289.72 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-formyl-4-methoxyphenyl)benzamide is sourced from PubChem (CID 154101050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).