N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide

C17H21FN2O3 — CID 96562007

IUPACN-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide
SMILESO=C(N[C@H]1CCC[C@H](C(=O)NC2CC2)C1)c1cc(F)ccc1O
InChIInChI=1S/C17H21FN2O3/c18-11-4-7-15(21)14(9-11)17(23)20-13-3-1-2-10(8-13)16(22)19-12-5-6-12/h4,7,9-10,12-13,21H,1-3,5-6,8H2,(H,19,22)(H,20,23)/t10-,13-/m0/s1
InChIKeyKAGSZRWBGGFKSD-GWCFXTLKSA-N
MW320.36 g/mol
LogP2.10
Rot. Bonds4

About N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide

N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 96562007) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide
PubChem CID96562007
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide
SMILESO=C(N[C@H]1CCC[C@H](C(=O)NC2CC2)C1)c1cc(F)ccc1O
InChIInChI=1S/C17H21FN2O3/c18-11-4-7-15(21)14(9-11)17(23)20-13-3-1-2-10(8-13)16(22)19-12-5-6-12/h4,7,9-10,12-13,21H,1-3,5-6,8H2,(H,19,22)(H,20,23)/t10-,13-/m0/s1
InChIKeyKAGSZRWBGGFKSD-GWCFXTLKSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281742
N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281549
3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013540
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 115299187
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
3-[(5-bromo-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107729349
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide
CID 115298747
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide
CID 113225219

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide (CID 96562007) is N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide is O=C(N[C@H]1CCC[C@H](C(=O)NC2CC2)C1)c1cc(F)ccc1O.
What is the InChIKey of N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is KAGSZRWBGGFKSD-GWCFXTLKSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-11-4-7-15(21)14(9-11)17(23)20-13-3-1-2-10(8-13)16(22)19-12-5-6-12/h4,7,9-10,12-13,21H,1-3,5-6,8H2,(H,19,22)(H,20,23)/t10-,13-/m0/s1.
What are the key properties of N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide?
N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 320.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 96562007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).