N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide

C17H18ClFN2O — CID 112980490

IUPACN-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H18ClFN2O/c1-3-11(2)20-12-7-9-13(10-8-12)21-17(22)16-14(18)5-4-6-15(16)19/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeyDTEOEEZNBMXTDI-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.94
Rot. Bonds5

About N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide

N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide (PubChem CID 112980490) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide
PubChem CID112980490
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC NameN-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H18ClFN2O/c1-3-11(2)20-12-7-9-13(10-8-12)21-17(22)16-14(18)5-4-6-15(16)19/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeyDTEOEEZNBMXTDI-UHFFFAOYSA-N
XLogP4.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide
CID 121062127
2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide
CID 33255433
N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
CID 112980494
methyl 4-[4-[(2-chloro-6-fluorobenzoyl)amino]anilino]benzoate
CID 112988576
2-chloro-6-fluoro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51300305
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide (CID 112980490) is N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide is CCC(C)Nc1ccc(NC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide?
The InChIKey is DTEOEEZNBMXTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-3-11(2)20-12-7-9-13(10-8-12)21-17(22)16-14(18)5-4-6-15(16)19/h4-11,20H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide?
N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide has a molecular weight of 320.80 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 112980490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).