N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide

C17H16Cl2FN3O2 — CID 60572410

IUPACN-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide
SMILESNc1c(Cl)cc(NC(=O)CCCNC(=O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H16Cl2FN3O2/c18-13-8-12(9-14(19)16(13)21)23-15(24)2-1-7-22-17(25)10-3-5-11(20)6-4-10/h3-6,8-9H,1-2,7,21H2,(H,22,25)(H,23,24)
InChIKeyJYLVWYHXBGIHHJ-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.86
Rot. Bonds6

About N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide

N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide (PubChem CID 60572410) has the molecular formula C17H16Cl2FN3O2 and a molecular weight of 384.24 g/mol. Its IUPAC name is N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide
PubChem CID60572410
Molecular FormulaC17H16Cl2FN3O2
Molecular Weight384.24 g/mol
Exact Mass383.06
IUPAC NameN-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide
SMILESNc1c(Cl)cc(NC(=O)CCCNC(=O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H16Cl2FN3O2/c18-13-8-12(9-14(19)16(13)21)23-15(24)2-1-7-22-17(25)10-3-5-11(20)6-4-10/h3-6,8-9H,1-2,7,21H2,(H,22,25)(H,23,24)
InChIKeyJYLVWYHXBGIHHJ-UHFFFAOYSA-N
XLogP3.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
CID 26364301
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
5-(4-amino-3,5-dichloroanilino)-5-oxopentanoic acid
CID 881207
N-[1-(4-amino-3,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 74292237
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594
N-[4-[2-(4-aminophenyl)ethylamino]-4-oxobutyl]-4-fluorobenzamide
CID 119548004
4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
CID 60573098
N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299566
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
4-chloro-N-[4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 112805744
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide (CID 60572410) is N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide is Nc1c(Cl)cc(NC(=O)CCCNC(=O)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide?
The InChIKey is JYLVWYHXBGIHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O2/c18-13-8-12(9-14(19)16(13)21)23-15(24)2-1-7-22-17(25)10-3-5-11(20)6-4-10/h3-6,8-9H,1-2,7,21H2,(H,22,25)(H,23,24).
What are the key properties of N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide?
N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide has a molecular weight of 384.24 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-3,5-dichloroanilino)-4-oxobutyl]-4-fluorobenzamide is sourced from PubChem (CID 60572410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).