1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide

C19H24FN3O2 — CID 56794269

IUPAC1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(NCC3CCCO3)c(F)c2)CCCCC1
InChIInChI=1S/C19H24FN3O2/c20-16-11-14(6-7-17(16)22-12-15-5-4-10-25-15)23-18(24)19(13-21)8-2-1-3-9-19/h6-7,11,15,22H,1-5,8-10,12H2,(H,23,24)
InChIKeyMCTNHPPCRCQYJG-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.83
Rot. Bonds5

About 1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide

1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 56794269) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID56794269
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(NCC3CCCO3)c(F)c2)CCCCC1
InChIInChI=1S/C19H24FN3O2/c20-16-11-14(6-7-17(16)22-12-15-5-4-10-25-15)23-18(24)19(13-21)8-2-1-3-9-19/h6-7,11,15,22H,1-5,8-10,12H2,(H,23,24)
InChIKeyMCTNHPPCRCQYJG-UHFFFAOYSA-N
XLogP3.83
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119892314
1-cyano-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 31813987
1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 31813984
3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
CID 95633182
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119892357
7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
CID 119892317
3-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methylbutanamide;dihydrochloride
CID 120504135
2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 97309960
2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
CID 95774376
4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186214
2-[4-[(1-cyanocyclopentanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109738

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide (CID 56794269) is 1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide is N#CC1(C(=O)Nc2ccc(NCC3CCCO3)c(F)c2)CCCCC1.
What is the InChIKey of 1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is MCTNHPPCRCQYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-16-11-14(6-7-17(16)22-12-15-5-4-10-25-15)23-18(24)19(13-21)8-2-1-3-9-19/h6-7,11,15,22H,1-5,8-10,12H2,(H,23,24).
What are the key properties of 1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide?
1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 56794269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).