4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide

C19H22FN3O2 — CID 18940679

IUPAC4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C19H22FN3O2/c1-22-9-11-23(12-10-22)17-13-16(7-8-18(17)25-2)21-19(24)14-3-5-15(20)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyLAISBFMXYUPHQY-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.84
Rot. Bonds4

About 4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide

4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 18940679) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID18940679
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C19H22FN3O2/c1-22-9-11-23(12-10-22)17-13-16(7-8-18(17)25-2)21-19(24)14-3-5-15(20)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyLAISBFMXYUPHQY-UHFFFAOYSA-N
XLogP2.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[7-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenoxy]heptoxy]benzamide;oxalic acid
CID 44533107
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 22459288
5-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide;5-bromothiophene-2-carboxylic acid
CID 67753976
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2-dihydrotriazol-3-yl)phenyl]benzamide
CID 67878356
ethyl 4-imidazol-1-ylbenzoate;4-imidazol-1-yl-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 67754406
4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 24535249
1-(3-chloro-4-methylphenyl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 15541334
2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 174398149
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;dihydrochloride
CID 24848519
4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
CID 107208628
4-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 19007040
4-[2-amino-3-[amino(hydroxy)methyl]-5-phenylphenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 143419282

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 18940679) is 4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(F)cc2)cc1N1CCN(C)CC1.
What is the InChIKey of 4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is LAISBFMXYUPHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22-9-11-23(12-10-22)17-13-16(7-8-18(17)25-2)21-19(24)14-3-5-15(20)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 343.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 18940679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).