N-fluoro-4-methyl-N-(3-oxopropyl)benzamide

C11H12FNO2 — CID 87587539

IUPACN-fluoro-4-methyl-N-(3-oxopropyl)benzamide
SMILESCc1ccc(C(=O)N(F)CCC=O)cc1
InChIInChI=1S/C11H12FNO2/c1-9-3-5-10(6-4-9)11(15)13(12)7-2-8-14/h3-6,8H,2,7H2,1H3
InChIKeyHAUIIIUZKSNFGI-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.91
Rot. Bonds4

About N-fluoro-4-methyl-N-(3-oxopropyl)benzamide

N-fluoro-4-methyl-N-(3-oxopropyl)benzamide (PubChem CID 87587539) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is N-fluoro-4-methyl-N-(3-oxopropyl)benzamide.

Molecular Properties

Compound NameN-fluoro-4-methyl-N-(3-oxopropyl)benzamide
PubChem CID87587539
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC NameN-fluoro-4-methyl-N-(3-oxopropyl)benzamide
SMILESCc1ccc(C(=O)N(F)CCC=O)cc1
InChIInChI=1S/C11H12FNO2/c1-9-3-5-10(6-4-9)11(15)13(12)7-2-8-14/h3-6,8H,2,7H2,1H3
InChIKeyHAUIIIUZKSNFGI-UHFFFAOYSA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

methane;4-(4-methylphenyl)-4-oxobutanal
CID 143644548
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
6-(4-methylphenyl)-4,6-dioxohexanal
CID 101168302
12-(4-methylphenyl)-12-oxododecanal
CID 11300702
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
CID 144812222
N-methoxy-4-methyl-N-(4-methylbenzoyl)benzamide
CID 134120196
2-oxoethyl 4-methylbenzoate
CID 58288903
N-(5-bromopentyl)-N,4-dimethylbenzamide
CID 107206029
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea
CID 143510984
acetaldehyde;4-methylbenzoic acid
CID 88694515
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667

Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-methyl-N-(3-oxopropyl)benzamide?
The IUPAC name of N-fluoro-4-methyl-N-(3-oxopropyl)benzamide (CID 87587539) is N-fluoro-4-methyl-N-(3-oxopropyl)benzamide.
What is the SMILES notation for N-fluoro-4-methyl-N-(3-oxopropyl)benzamide?
The canonical SMILES for N-fluoro-4-methyl-N-(3-oxopropyl)benzamide is Cc1ccc(C(=O)N(F)CCC=O)cc1.
What is the InChIKey of N-fluoro-4-methyl-N-(3-oxopropyl)benzamide?
The InChIKey is HAUIIIUZKSNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-9-3-5-10(6-4-9)11(15)13(12)7-2-8-14/h3-6,8H,2,7H2,1H3.
What are the key properties of N-fluoro-4-methyl-N-(3-oxopropyl)benzamide?
N-fluoro-4-methyl-N-(3-oxopropyl)benzamide has a molecular weight of 209.22 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-methyl-N-(3-oxopropyl)benzamide is sourced from PubChem (CID 87587539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).