N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide

C14H18FNO3 — CID 102684653

IUPACN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)N(CCO)C2CCC2)ccc1F
InChIInChI=1S/C14H18FNO3/c1-19-13-9-10(5-6-12(13)15)14(18)16(7-8-17)11-3-2-4-11/h5-6,9,11,17H,2-4,7-8H2,1H3
InChIKeyQVIPAWHKFTWOTJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.82
Rot. Bonds5

About N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide

N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide (PubChem CID 102684653) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
PubChem CID102684653
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC NameN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)N(CCO)C2CCC2)ccc1F
InChIInChI=1S/C14H18FNO3/c1-19-13-9-10(5-6-12(13)15)14(18)16(7-8-17)11-3-2-4-11/h5-6,9,11,17H,2-4,7-8H2,1H3
InChIKeyQVIPAWHKFTWOTJ-UHFFFAOYSA-N
XLogP1.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-cyclopropyl-4-fluoro-3-methoxybenzamide
CID 81284079
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide
CID 102684529
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 102861526
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 61115533
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide
CID 136531983

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide?
The IUPAC name of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide (CID 102684653) is N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide.
What is the SMILES notation for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide?
The canonical SMILES for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide is COc1cc(C(=O)N(CCO)C2CCC2)ccc1F.
What is the InChIKey of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide?
The InChIKey is QVIPAWHKFTWOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-19-13-9-10(5-6-12(13)15)14(18)16(7-8-17)11-3-2-4-11/h5-6,9,11,17H,2-4,7-8H2,1H3.
What are the key properties of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide?
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide has a molecular weight of 267.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide is sourced from PubChem (CID 102684653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).