N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide

C14H20FNO2 — CID 63213761

IUPACN-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
SMILESCCCCN(CCO)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO2/c1-3-4-7-16(8-9-17)14(18)12-5-6-13(15)11(2)10-12/h5-6,10,17H,3-4,7-9H2,1-2H3
InChIKeyQOJFRTYWNFHGFU-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.37
Rot. Bonds6

About N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide

N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide (PubChem CID 63213761) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
PubChem CID63213761
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
SMILESCCCCN(CCO)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO2/c1-3-4-7-16(8-9-17)14(18)12-5-6-13(15)11(2)10-12/h5-6,10,17H,3-4,7-9H2,1-2H3
InChIKeyQOJFRTYWNFHGFU-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
N-(2-bromoethyl)-4-fluoro-3-methyl-N-propylbenzamide
CID 80660124
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
N-butyl-3-fluoro-N-(2-hydroxyethyl)-4-nitrobenzamide
CID 62680732
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749456
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
N,N-dibutyl-4-fluoro-3-nitrobenzamide
CID 43244139

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide?
The IUPAC name of N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide (CID 63213761) is N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide.
What is the SMILES notation for N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide?
The canonical SMILES for N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide is CCCCN(CCO)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide?
The InChIKey is QOJFRTYWNFHGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-4-7-16(8-9-17)14(18)12-5-6-13(15)11(2)10-12/h5-6,10,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide?
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide is sourced from PubChem (CID 63213761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).