N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide

C15H18FNO2 — CID 129365728

IUPACN-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C15H18FNO2/c16-13-3-1-12(2-4-13)15(18)17(14-5-6-14)9-11-7-8-19-10-11/h1-4,11,14H,5-10H2/t11-/m0/s1
InChIKeyAJDWJTTWCAUNIH-NSHDSACASA-N
MW263.31 g/mol
LogP2.47
Rot. Bonds4

About N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide

N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide (PubChem CID 129365728) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
PubChem CID129365728
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C15H18FNO2/c16-13-3-1-12(2-4-13)15(18)17(14-5-6-14)9-11-7-8-19-10-11/h1-4,11,14H,5-10H2/t11-/m0/s1
InChIKeyAJDWJTTWCAUNIH-NSHDSACASA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95054883
N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 61053717
N-cyclopropyl-N-(oxolan-3-ylmethyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 47922204
N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 94819634
3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 93318244
N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 95049582
N-cyclopropyl-2,3-dimethyl-N-(oxolan-3-ylmethyl)-1H-indole-5-carboxamide
CID 87011207
N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide
CID 47922463
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 55052541
3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 47209992

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide (CID 129365728) is N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide is O=C(c1ccc(F)cc1)N(C[C@@H]1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The InChIKey is AJDWJTTWCAUNIH-NSHDSACASA-N. The full InChI is InChI=1S/C15H18FNO2/c16-13-3-1-12(2-4-13)15(18)17(14-5-6-14)9-11-7-8-19-10-11/h1-4,11,14H,5-10H2/t11-/m0/s1.
What are the key properties of N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide has a molecular weight of 263.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 129365728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).