N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide

C17H16ClFN2O3S — CID 110305588

IUPACN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O3S/c18-12-9-11(6-7-13(12)19)21-17(24)10-20-16(23)5-1-3-14(22)15-4-2-8-25-15/h2,4,6-9H,1,3,5,10H2,(H,20,23)(H,21,24)
InChIKeyFUQQEIAPBYTSSA-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.65
Rot. Bonds8

About N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 110305588) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID110305588
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O3S/c18-12-9-11(6-7-13(12)19)21-17(24)10-20-16(23)5-1-3-14(22)15-4-2-8-25-15/h2,4,6-9H,1,3,5,10H2,(H,20,23)(H,21,24)
InChIKeyFUQQEIAPBYTSSA-UHFFFAOYSA-N
XLogP3.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110625454
3-(benzenesulfonyl)-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]propanamide
CID 110305568
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide
CID 110625415
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 17395086
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1055725
N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110298004
1-(2,4-dichlorophenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126060994
N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110619359
N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518611

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide (CID 110305588) is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide is O=C(CCCC(=O)c1cccs1)NCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is FUQQEIAPBYTSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c18-12-9-11(6-7-13(12)19)21-17(24)10-20-16(23)5-1-3-14(22)15-4-2-8-25-15/h2,4,6-9H,1,3,5,10H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide?
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 382.84 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110305588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).