2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C14H17Cl2FN2O2 — CID 46823565

IUPAC2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2FN2O2/c1-4-19(7-13(20)18-8(2)3)14(21)9-5-12(17)11(16)6-10(9)15/h5-6,8H,4,7H2,1-3H3,(H,18,20)
InChIKeyVNSCZCFUHGBXJO-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.12
Rot. Bonds5

About 2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 46823565) has the molecular formula C14H17Cl2FN2O2 and a molecular weight of 335.21 g/mol. Its IUPAC name is 2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID46823565
Molecular FormulaC14H17Cl2FN2O2
Molecular Weight335.21 g/mol
Exact Mass334.07
IUPAC Name2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2FN2O2/c1-4-19(7-13(20)18-8(2)3)14(21)9-5-12(17)11(16)6-10(9)15/h5-6,8H,4,7H2,1-3H3,(H,18,20)
InChIKeyVNSCZCFUHGBXJO-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 105380509
2-amino-3-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 115540404
N-ethyl-4-fluoro-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63212665
4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 51157101
2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 55343818
3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61116726
3-bromo-N-ethyl-2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 106544231
2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113337578
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47100210
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide
CID 112799664
2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55388510

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 46823565) is 2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CCN(CC(=O)NC(C)C)C(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is VNSCZCFUHGBXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2FN2O2/c1-4-19(7-13(20)18-8(2)3)14(21)9-5-12(17)11(16)6-10(9)15/h5-6,8H,4,7H2,1-3H3,(H,18,20).
What are the key properties of 2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 335.21 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 46823565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).