2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide

C20H22F2N2O3 — CID 118988703

IUPAC2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide
SMILESO=C(NCCCC[C@@H](CO)NC(=O)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C20H22F2N2O3/c21-17-10-3-1-8-15(17)19(26)23-12-6-5-7-14(13-25)24-20(27)16-9-2-4-11-18(16)22/h1-4,8-11,14,25H,5-7,12-13H2,(H,23,26)(H,24,27)/t14-/m0/s1
InChIKeyPEAVZWRDBHEMHS-AWEZNQCLSA-N
MW376.40 g/mol
LogP2.66
Rot. Bonds9

About 2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide

2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide (PubChem CID 118988703) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide
PubChem CID118988703
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide
SMILESO=C(NCCCC[C@@H](CO)NC(=O)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C20H22F2N2O3/c21-17-10-3-1-8-15(17)19(26)23-12-6-5-7-14(13-25)24-20(27)16-9-2-4-11-18(16)22/h1-4,8-11,14,25H,5-7,12-13H2,(H,23,26)(H,24,27)/t14-/m0/s1
InChIKeyPEAVZWRDBHEMHS-AWEZNQCLSA-N
XLogP2.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzoyl-L-phenylalanine
CID 97370
Benzamide, N,N'-1,6-hexanediylbis-
CID 219241
N-Benzoyl-DL-phenylalanine
CID 273362
N-Benzoyl-L-phenylalaninol
CID 852848
3-N-[(2S,3S,5R)-1-(3,5-difluorophenyl)-3-hydroxy-5-methyl-5-[(2-methylpropyl)carbamoyl]pentan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
CID 6918716
N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Iodobenzyl)amino]propyl}-5-Methyl-N,N-Dipropylisophthalamide
CID 11628951
3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1S)-1-[(2-methylpropyl)carbamoyl]ethyl]amino}butan-2-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
CID 16109345
3-N-[(2S,3R)-4-(benzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
CID 16109352
Amide, 17c
CID 44263413
4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 3101991
4-fluoro-N-(3-phenylpropyl)benzamide
CID 2164200
3-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914829

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide?
The IUPAC name of 2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide (CID 118988703) is 2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide is O=C(NCCCC[C@@H](CO)NC(=O)c1ccccc1F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide?
The InChIKey is PEAVZWRDBHEMHS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c21-17-10-3-1-8-15(17)19(26)23-12-6-5-7-14(13-25)24-20(27)16-9-2-4-11-18(16)22/h1-4,8-11,14,25H,5-7,12-13H2,(H,23,26)(H,24,27)/t14-/m0/s1.
What are the key properties of 2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide?
2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide has a molecular weight of 376.40 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5S)-5-[(2-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide is sourced from PubChem (CID 118988703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).