N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide

C19H21FN2O2 — CID 9182422

IUPACN-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-14-5-2-3-8-17(14)19(24)22-12-10-18(23)21-11-9-15-6-4-7-16(20)13-15/h2-8,13H,9-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyDWSVVKWFNMADNG-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.61
Rot. Bonds7

About N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide

N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 9182422) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
PubChem CID9182422
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-14-5-2-3-8-17(14)19(24)22-12-10-18(23)21-11-9-15-6-4-7-16(20)13-15/h2-8,13H,9-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyDWSVVKWFNMADNG-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8528959
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 2681293
N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192847
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81226046
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide (CID 9182422) is N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)NCCc1cccc(F)c1.
What is the InChIKey of N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is DWSVVKWFNMADNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14-5-2-3-8-17(14)19(24)22-12-10-18(23)21-11-9-15-6-4-7-16(20)13-15/h2-8,13H,9-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 328.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 9182422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).