N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide

C17H16ClFN2O3 — CID 17226122

IUPACN-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H16ClFN2O3/c1-24-13-4-2-3-11(9-13)17(23)20-8-7-16(22)21-12-5-6-15(19)14(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,20,23)(H,21,22)
InChIKeyXEKZVBWCRMUACO-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.25
Rot. Bonds6

About N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide

N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide (PubChem CID 17226122) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
PubChem CID17226122
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H16ClFN2O3/c1-24-13-4-2-3-11(9-13)17(23)20-8-7-16(22)21-12-5-6-15(19)14(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,20,23)(H,21,22)
InChIKeyXEKZVBWCRMUACO-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
CID 17226091
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191702
ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
CID 17226184
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166630
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7492272
3-methoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17226232

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide?
The IUPAC name of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide (CID 17226122) is N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCC(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide?
The InChIKey is XEKZVBWCRMUACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-24-13-4-2-3-11(9-13)17(23)20-8-7-16(22)21-12-5-6-15(19)14(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide?
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide has a molecular weight of 350.78 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide is sourced from PubChem (CID 17226122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).