N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide

C14H20FNO — CID 167035620

IUPACN,N-diethyl-3-fluoro-4-propan-2-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(C)C)c(F)c1
InChIInChI=1S/C14H20FNO/c1-5-16(6-2)14(17)11-7-8-12(10(3)4)13(15)9-11/h7-10H,5-6H2,1-4H3
InChIKeyYAOPWCRWZHHNKD-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.43
Rot. Bonds4

About N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide

N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide (PubChem CID 167035620) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-3-fluoro-4-propan-2-ylbenzamide
PubChem CID167035620
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN,N-diethyl-3-fluoro-4-propan-2-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(C)C)c(F)c1
InChIInChI=1S/C14H20FNO/c1-5-16(6-2)14(17)11-7-8-12(10(3)4)13(15)9-11/h7-10H,5-6H2,1-4H3
InChIKeyYAOPWCRWZHHNKD-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(chloromethyl)-N,N-diethyl-3-fluorobenzamide
CID 155140398
N,N-diethyl-4-ethynyl-3-fluorobenzamide
CID 154814888
ethane;N-ethyl-3-methyl-4-propan-2-yl-N-propylbenzamide
CID 144625128
N-ethyl-3-fluoro-N-(2-methylpropyl)-4-nitrobenzamide
CID 62680393
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023
3-[(4-amino-3-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55158896
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxypropyl)benzamide
CID 115772086
N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide
CID 84559876
N,N-diethyl-3,5-di(propan-2-yl)benzamide
CID 71210847
N-ethyl-3-fluoro-N-(2-methylbutyl)-4-nitrobenzamide
CID 79482385
3-[(4-chloro-3-fluorobenzoyl)-ethylamino]butanoic acid
CID 114025721
N-ethyl-4-fluoro-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63212665

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide?
The IUPAC name of N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide (CID 167035620) is N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide.
What is the SMILES notation for N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide?
The canonical SMILES for N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide is CCN(CC)C(=O)c1ccc(C(C)C)c(F)c1.
What is the InChIKey of N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide?
The InChIKey is YAOPWCRWZHHNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-5-16(6-2)14(17)11-7-8-12(10(3)4)13(15)9-11/h7-10H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide?
N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide has a molecular weight of 237.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide is sourced from PubChem (CID 167035620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).