N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide

C18H25FN2O3 — CID 50975562

IUPACN-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide
SMILESCCN(CC1CCOCC1)C(=O)CCNC(=O)c1ccccc1F
InChIInChI=1S/C18H25FN2O3/c1-2-21(13-14-8-11-24-12-9-14)17(22)7-10-20-18(23)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3,(H,20,23)
InChIKeyCDLSQGMYOGZHHW-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.22
Rot. Bonds7

About N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide

N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide (PubChem CID 50975562) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide
PubChem CID50975562
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide
SMILESCCN(CC1CCOCC1)C(=O)CCNC(=O)c1ccccc1F
InChIInChI=1S/C18H25FN2O3/c1-2-21(13-14-8-11-24-12-9-14)17(22)7-10-20-18(23)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3,(H,20,23)
InChIKeyCDLSQGMYOGZHHW-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
CID 144540979
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide
CID 51108792
2-fluoro-N-[3-oxo-3-(3-propylmorpholin-4-yl)propyl]benzamide
CID 46983091
N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 94820192
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 61021393
N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide
CID 50950521
N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide
CID 63107836
N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 104917550
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 54874267

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide (CID 50975562) is N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide is CCN(CC1CCOCC1)C(=O)CCNC(=O)c1ccccc1F.
What is the InChIKey of N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide?
The InChIKey is CDLSQGMYOGZHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-2-21(13-14-8-11-24-12-9-14)17(22)7-10-20-18(23)15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3,(H,20,23).
What are the key properties of N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide?
N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide has a molecular weight of 336.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide is sourced from PubChem (CID 50975562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).