N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide

C21H27FN2O3 — CID 133267354

IUPACN-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide
SMILESO=C(CCNC(=O)c1ccccc1F)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1
InChIInChI=1S/C21H27FN2O3/c22-16-8-4-3-7-14(16)21(26)23-11-9-17(25)24-19-15-10-12-27-20(15)18(19)13-5-1-2-6-13/h3-4,7-8,13,15,18-20H,1-2,5-6,9-12H2,(H,23,26)(H,24,25)/t15-,18+,19-,20-/m1/s1
InChIKeyDHCVEKASTQSRTN-XWPNQZOQSA-N
MW374.46 g/mol
LogP2.66
Rot. Bonds6

About N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide

N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide (PubChem CID 133267354) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide
PubChem CID133267354
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC NameN-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide
SMILESO=C(CCNC(=O)c1ccccc1F)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1
InChIInChI=1S/C21H27FN2O3/c22-16-8-4-3-7-14(16)21(26)23-11-9-17(25)24-19-15-10-12-27-20(15)18(19)13-5-1-2-6-13/h3-4,7-8,13,15,18-20H,1-2,5-6,9-12H2,(H,23,26)(H,24,25)/t15-,18+,19-,20-/m1/s1
InChIKeyDHCVEKASTQSRTN-XWPNQZOQSA-N
XLogP2.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-ethoxyethoxy)benzamide
CID 91769104
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide
CID 133264832
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 91770237
N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
CID 110370059
N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
CID 124571830
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 133265898
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
CID 133265550
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 91772237
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30670029
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 156609400

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide (CID 133267354) is N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide is O=C(CCNC(=O)c1ccccc1F)N[C@@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1.
What is the InChIKey of N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide?
The InChIKey is DHCVEKASTQSRTN-XWPNQZOQSA-N. The full InChI is InChI=1S/C21H27FN2O3/c22-16-8-4-3-7-14(16)21(26)23-11-9-17(25)24-19-15-10-12-27-20(15)18(19)13-5-1-2-6-13/h3-4,7-8,13,15,18-20H,1-2,5-6,9-12H2,(H,23,26)(H,24,25)/t15-,18+,19-,20-/m1/s1.
What are the key properties of N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide?
N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide has a molecular weight of 374.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide is sourced from PubChem (CID 133267354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).