(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide

C19H20F2N2O2 — CID 7432118

IUPAC(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
SMILESC[C@H](CCC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-13(12-19(25)23-17-9-5-15(21)6-10-17)2-11-18(24)22-16-7-3-14(20)4-8-16/h3-10,13H,2,11-12H2,1H3,(H,22,24)(H,23,25)/t13-/m1/s1
InChIKeyKOJKMUBHIZWCBP-CYBMUJFWSA-N
MW346.38 g/mol
LogP4.35
Rot. Bonds7

About (3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide

(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide (PubChem CID 7432118) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is (3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide.

Molecular Properties

Compound Name(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
PubChem CID7432118
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
SMILESC[C@H](CCC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-13(12-19(25)23-17-9-5-15(21)6-10-17)2-11-18(24)22-16-7-3-14(20)4-8-16/h3-10,13H,2,11-12H2,1H3,(H,22,24)(H,23,25)/t13-/m1/s1
InChIKeyKOJKMUBHIZWCBP-CYBMUJFWSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 2832938
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
(2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 101158514
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
6-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-4-methylhexanoic acid
CID 65289979
N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 5122377
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide?
The IUPAC name of (3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide (CID 7432118) is (3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide.
What is the SMILES notation for (3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide?
The canonical SMILES for (3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide is C[C@H](CCC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of (3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide?
The InChIKey is KOJKMUBHIZWCBP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-13(12-19(25)23-17-9-5-15(21)6-10-17)2-11-18(24)22-16-7-3-14(20)4-8-16/h3-10,13H,2,11-12H2,1H3,(H,22,24)(H,23,25)/t13-/m1/s1.
What are the key properties of (3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide?
(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide has a molecular weight of 346.38 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide is sourced from PubChem (CID 7432118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).