N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide

C18H15ClF4N2O3 — CID 2236520

IUPACN-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1
InChIInChI=1S/C18H15ClF4N2O3/c1-3-4-11(26)24-8-5-6-9(19)10(7-8)25-18(27)12-13(20)15(22)17(28-2)16(23)14(12)21/h5-7H,3-4H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWIECOVXMCUVCQR-UHFFFAOYSA-N
MW418.77 g/mol
LogP4.90
Rot. Bonds6

About N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide

N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide (PubChem CID 2236520) has the molecular formula C18H15ClF4N2O3 and a molecular weight of 418.77 g/mol. Its IUPAC name is N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
PubChem CID2236520
Molecular FormulaC18H15ClF4N2O3
Molecular Weight418.77 g/mol
Exact Mass418.07
IUPAC NameN-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1
InChIInChI=1S/C18H15ClF4N2O3/c1-3-4-11(26)24-8-5-6-9(19)10(7-8)25-18(27)12-13(20)15(22)17(28-2)16(23)14(12)21/h5-7H,3-4H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWIECOVXMCUVCQR-UHFFFAOYSA-N
XLogP4.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.77
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide
CID 960096
2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 22778783
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-fluorobenzamide
CID 4510137
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-[4-chloro-3-[[2-(prop-2-enylamino)acetyl]amino]phenyl]butanamide
CID 54818293
N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911420
N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide
CID 4508582
4-[5-(butanoylamino)-2-chloroanilino]-4-oxobut-2-enoic acid
CID 53407462
N-[4-chloro-3-[[2-(hexadecylamino)acetyl]amino]phenyl]butanamide
CID 54808683
N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 112827932
N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-iodobenzamide
CID 4510130

Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide (CID 2236520) is N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide.
What is the SMILES notation for N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The canonical SMILES for N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1.
What is the InChIKey of N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The InChIKey is WIECOVXMCUVCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF4N2O3/c1-3-4-11(26)24-8-5-6-9(19)10(7-8)25-18(27)12-13(20)15(22)17(28-2)16(23)14(12)21/h5-7H,3-4H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide?
N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide has a molecular weight of 418.77 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide is sourced from PubChem (CID 2236520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).