N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide

C13H17FN2O2 — CID 112702497

IUPACN-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C13H17FN2O2/c1-9-8-10(14)4-5-11(9)13(18)15-7-6-12(17)16(2)3/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyXQSTWRABPNAIDL-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.34
Rot. Bonds4

About N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide

N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide (PubChem CID 112702497) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide
PubChem CID112702497
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C13H17FN2O2/c1-9-8-10(14)4-5-11(9)13(18)15-7-6-12(17)16(2)3/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyXQSTWRABPNAIDL-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
ethyl 4-[(4-fluoro-2-methylbenzoyl)amino]butanoate
CID 112702353
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
CID 112702550
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 115745181
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316
4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920099
2-[2-[(4-fluoro-2-methylbenzoyl)amino]ethylsulfanyl]acetic acid
CID 120526481
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide
CID 115745580

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide (CID 112702497) is N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NCCC(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide?
The InChIKey is XQSTWRABPNAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-8-10(14)4-5-11(9)13(18)15-7-6-12(17)16(2)3/h4-5,8H,6-7H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide?
N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide has a molecular weight of 252.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 112702497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).