4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide

C26H29FN2O3 — CID 167948773

IUPAC4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H29FN2O3/c27-21-7-5-18(6-8-21)17-1-3-20(4-2-17)24(30)28-16-26(11-12-26)29-25(31)23-15-22(23)19-9-13-32-14-10-19/h1-8,19,22-23H,9-16H2,(H,28,30)(H,29,31)/t22-,23+/m0/s1
InChIKeyRYLMNAVZLICMHP-XZOQPEGZSA-N
MW436.53 g/mol
LogP3.93
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide

4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide (PubChem CID 167948773) has the molecular formula C26H29FN2O3 and a molecular weight of 436.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide
PubChem CID167948773
Molecular FormulaC26H29FN2O3
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC Name4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H29FN2O3/c27-21-7-5-18(6-8-21)17-1-3-20(4-2-17)24(30)28-16-26(11-12-26)29-25(31)23-15-22(23)19-9-13-32-14-10-19/h1-8,19,22-23H,9-16H2,(H,28,30)(H,29,31)/t22-,23+/m0/s1
InChIKeyRYLMNAVZLICMHP-XZOQPEGZSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide with MolForge

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid
CID 119215271
N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide
CID 53017138
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276126
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
4-fluoro-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]benzamide
CID 56786732
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484978
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 120786924

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide (CID 167948773) is 4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide is O=C(NCC1(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide?
The InChIKey is RYLMNAVZLICMHP-XZOQPEGZSA-N. The full InChI is InChI=1S/C26H29FN2O3/c27-21-7-5-18(6-8-21)17-1-3-20(4-2-17)24(30)28-16-26(11-12-26)29-25(31)23-15-22(23)19-9-13-32-14-10-19/h1-8,19,22-23H,9-16H2,(H,28,30)(H,29,31)/t22-,23+/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide?
4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[[1-[[(1R,2S)-2-(oxan-4-yl)cyclopropanecarbonyl]amino]cyclopropyl]methyl]benzamide is sourced from PubChem (CID 167948773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).