N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide

C22H27FN2O2 — CID 5122377

IUPACN-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCC(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H27FN2O2/c1-15(2)18-6-10-20(11-7-18)25-22(27)13-16(3)12-21(26)24-14-17-4-8-19(23)9-5-17/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyKTMZAXIQFCTPMM-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.62
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide

N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide (PubChem CID 5122377) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
PubChem CID5122377
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCC(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H27FN2O2/c1-15(2)18-6-10-20(11-7-18)25-22(27)13-16(3)12-21(26)24-14-17-4-8-19(23)9-5-17/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyKTMZAXIQFCTPMM-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323824
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 2832938
(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 7432118
2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109000448
N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108947063
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
(3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323883
N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 16790462

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide (CID 5122377) is N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide is CC(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The InChIKey is KTMZAXIQFCTPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-15(2)18-6-10-20(11-7-18)25-22(27)13-16(3)12-21(26)24-14-17-4-8-19(23)9-5-17/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide has a molecular weight of 370.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide is sourced from PubChem (CID 5122377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).