N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide

C17H18F2N2O — CID 112980494

IUPACN-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O/c1-3-11(2)20-13-5-7-14(8-6-13)21-17(22)12-4-9-15(18)16(19)10-12/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeySVBAOOGUSSFQDM-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.43
Rot. Bonds5

About N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide

N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide (PubChem CID 112980494) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
PubChem CID112980494
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O/c1-3-11(2)20-13-5-7-14(8-6-13)21-17(22)12-4-9-15(18)16(19)10-12/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeySVBAOOGUSSFQDM-UHFFFAOYSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
CID 112980469
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778734
3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
CID 112985224
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109080310
N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide
CID 112980490
6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109111535
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide (CID 112980494) is N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide is CCC(C)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide?
The InChIKey is SVBAOOGUSSFQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-3-11(2)20-13-5-7-14(8-6-13)21-17(22)12-4-9-15(18)16(19)10-12/h4-11,20H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide?
N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide has a molecular weight of 304.34 g/mol, XLogP of 4.43, 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]-3,4-difluorobenzamide is sourced from PubChem (CID 112980494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).