N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide

C16H22FNO3 — CID 110125855

IUPACN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)N[C@@H]1CCCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H22FNO3/c17-12-8-5-11(6-9-12)7-10-15(20)18-13-3-1-2-4-14(19)16(13)21/h5-6,8-9,13-14,16,19,21H,1-4,7,10H2,(H,18,20)/t13-,14-,16-/m1/s1
InChIKeyARYCJYQGMASZDK-IIAWOOMASA-N
MW295.35 g/mol
LogP1.54
Rot. Bonds4

About N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide

N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide (PubChem CID 110125855) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide
PubChem CID110125855
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)N[C@@H]1CCCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H22FNO3/c17-12-8-5-11(6-9-12)7-10-15(20)18-13-3-1-2-4-14(19)16(13)21/h5-6,8-9,13-14,16,19,21H,1-4,7,10H2,(H,18,20)/t13-,14-,16-/m1/s1
InChIKeyARYCJYQGMASZDK-IIAWOOMASA-N
XLogP1.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104957177
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide
CID 104957512
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide
CID 114301183
trans-(1R,2R)-2-[[2-(4-fluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 97161392
N-(2-tert-butylcyclohexyl)-3-phenylpropanamide
CID 17147377
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide
CID 91763561
3-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104956680

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide (CID 110125855) is N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide is O=C(CCc1ccc(F)cc1)N[C@@H]1CCCC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is ARYCJYQGMASZDK-IIAWOOMASA-N. The full InChI is InChI=1S/C16H22FNO3/c17-12-8-5-11(6-9-12)7-10-15(20)18-13-3-1-2-4-14(19)16(13)21/h5-6,8-9,13-14,16,19,21H,1-4,7,10H2,(H,18,20)/t13-,14-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide?
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 295.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 110125855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).