2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide

C16H22ClFN2O3 — CID 111483229

IUPAC2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
SMILESCCC(O)(CC)CNC(=O)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H22ClFN2O3/c1-3-16(23,4-2)10-20-14(21)7-8-19-15(22)12-6-5-11(18)9-13(12)17/h5-6,9,23H,3-4,7-8,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySVYHGRGVXDXXGT-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.27
Rot. Bonds8

About 2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide

2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide (PubChem CID 111483229) has the molecular formula C16H22ClFN2O3 and a molecular weight of 344.81 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
PubChem CID111483229
Molecular FormulaC16H22ClFN2O3
Molecular Weight344.81 g/mol
Exact Mass344.13
IUPAC Name2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
SMILESCCC(O)(CC)CNC(=O)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H22ClFN2O3/c1-3-16(23,4-2)10-20-14(21)7-8-19-15(22)12-6-5-11(18)9-13(12)17/h5-6,9,23H,3-4,7-8,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySVYHGRGVXDXXGT-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
CID 111483370
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide
CID 65108644
2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55759108
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
CID 55786575
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
2-chloro-N-[3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-3-oxopropyl]-4-fluorobenzamide
CID 55761571
2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
CID 55792107

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide (CID 111483229) is 2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide is CCC(O)(CC)CNC(=O)CCNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is SVYHGRGVXDXXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O3/c1-3-16(23,4-2)10-20-14(21)7-8-19-15(22)12-6-5-11(18)9-13(12)17/h5-6,9,23H,3-4,7-8,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide?
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 344.81 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 111483229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).