4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide

C15H14ClFN2O2 — CID 107621511

IUPAC4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide
SMILESCOc1cc(NCc2ccc(C(N)=O)cc2F)ccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-21-14-7-11(4-5-12(14)16)19-8-10-3-2-9(15(18)20)6-13(10)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyYEDXKJRZXAIOJZ-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.20
Rot. Bonds5

About 4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide

4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide (PubChem CID 107621511) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide
PubChem CID107621511
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide
SMILESCOc1cc(NCc2ccc(C(N)=O)cc2F)ccc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-21-14-7-11(4-5-12(14)16)19-8-10-3-2-9(15(18)20)6-13(10)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyYEDXKJRZXAIOJZ-UHFFFAOYSA-N
XLogP3.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
CID 62810109
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide
CID 102664294
4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
CID 28556485
4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide
CID 63333639
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
methyl 4-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272146
4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 43380800
3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
CID 114837601
4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide
CID 107611393
3-chloro-4-methylaniline;methyl 4-[(3-chloro-4-methylanilino)methyl]-3-fluorobenzoate
CID 159494667
methyl 2-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272147

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide (CID 107621511) is 4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide is COc1cc(NCc2ccc(C(N)=O)cc2F)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide?
The InChIKey is YEDXKJRZXAIOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-21-14-7-11(4-5-12(14)16)19-8-10-3-2-9(15(18)20)6-13(10)17/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide?
4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide has a molecular weight of 308.74 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide is sourced from PubChem (CID 107621511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).