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

C17H17FN2O3 — CID 17226080

IUPACN-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O3/c1-23-15-4-2-3-12(11-15)17(22)19-10-9-16(21)20-14-7-5-13(18)6-8-14/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyPBPRYIGJBKMHHW-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.59
Rot. Bonds6

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

N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide (PubChem CID 17226080) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
PubChem CID17226080
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O3/c1-23-15-4-2-3-12(11-15)17(22)19-10-9-16(21)20-14-7-5-13(18)6-8-14/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyPBPRYIGJBKMHHW-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
CID 17226091
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226122
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
tert-butyl N-[3-[4-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108919818
ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
CID 17226184
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
3-methoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17226232
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3-methoxybenzamide
CID 17226245
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide?
The IUPAC name of N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide (CID 17226080) is N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide?
The InChIKey is PBPRYIGJBKMHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-15-4-2-3-12(11-15)17(22)19-10-9-16(21)20-14-7-5-13(18)6-8-14/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide?
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide has a molecular weight of 316.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide is sourced from PubChem (CID 17226080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).