2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide

C20H32FN3O — CID 55988900

IUPAC2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)C(C)Nc2ccc(N(C)C(C)C)c(F)c2)CC1
InChIInChI=1S/C20H32FN3O/c1-13(2)24(5)19-11-10-17(12-18(19)21)22-15(4)20(25)23-16-8-6-14(3)7-9-16/h10-16,22H,6-9H2,1-5H3,(H,23,25)
InChIKeyNINAMRIVVZDOBF-UHFFFAOYSA-N
MW349.49 g/mol
LogP4.17
Rot. Bonds6

About 2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide

2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide (PubChem CID 55988900) has the molecular formula C20H32FN3O and a molecular weight of 349.49 g/mol. Its IUPAC name is 2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide
PubChem CID55988900
Molecular FormulaC20H32FN3O
Molecular Weight349.49 g/mol
Exact Mass349.25
IUPAC Name2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)C(C)Nc2ccc(N(C)C(C)C)c(F)c2)CC1
InChIInChI=1S/C20H32FN3O/c1-13(2)24(5)19-11-10-17(12-18(19)21)22-15(4)20(25)23-16-8-6-14(3)7-9-16/h10-16,22H,6-9H2,1-5H3,(H,23,25)
InChIKeyNINAMRIVVZDOBF-UHFFFAOYSA-N
XLogP4.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide
CID 47145467
4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679348
N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide
CID 71888192
4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 64762403
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]butanoic acid
CID 115352494
2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
CID 78907261
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
4-N-(1,1-dioxothiolan-3-yl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 63162631
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1-pyrrolidin-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79537461
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine
CID 103561131
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide (CID 55988900) is 2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide is CC1CCC(NC(=O)C(C)Nc2ccc(N(C)C(C)C)c(F)c2)CC1.
What is the InChIKey of 2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide?
The InChIKey is NINAMRIVVZDOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O/c1-13(2)24(5)19-11-10-17(12-18(19)21)22-15(4)20(25)23-16-8-6-14(3)7-9-16/h10-16,22H,6-9H2,1-5H3,(H,23,25).
What are the key properties of 2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide?
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide has a molecular weight of 349.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 55988900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).