2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide

C24H22F2N4O3 — CID 30779997

IUPAC2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H22F2N4O3/c25-16-8-13-20(21(26)15-16)23(32)27-14-4-7-22(31)28-18-9-11-19(12-10-18)30-24(33)29-17-5-2-1-3-6-17/h1-3,5-6,8-13,15H,4,7,14H2,(H,27,32)(H,28,31)(H2,29,30,33)
InChIKeyCBCCIMCAMSDJKC-UHFFFAOYSA-N
MW452.46 g/mol
LogP4.76
Rot. Bonds8

About 2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide

2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide (PubChem CID 30779997) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
PubChem CID30779997
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H22F2N4O3/c25-16-8-13-20(21(26)15-16)23(32)27-14-4-7-22(31)28-18-9-11-19(12-10-18)30-24(33)29-17-5-2-1-3-6-17/h1-3,5-6,8-13,15H,4,7,14H2,(H,27,32)(H,28,31)(H2,29,30,33)
InChIKeyCBCCIMCAMSDJKC-UHFFFAOYSA-N
XLogP4.76
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[4-(4-methylsulfanylanilino)-4-oxobutyl]benzamide
CID 27365072
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
2,4-difluoro-N-[4-oxo-4-[4-(triazol-2-yl)anilino]butyl]benzamide
CID 86998515
2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide
CID 55376253
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310
N-[4-[3-(ethylaminomethyl)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119438363
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
N-[4-[3-(cyanomethoxy)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55752228
2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide
CID 24648849

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide (CID 30779997) is 2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide is O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide?
The InChIKey is CBCCIMCAMSDJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c25-16-8-13-20(21(26)15-16)23(32)27-14-4-7-22(31)28-18-9-11-19(12-10-18)30-24(33)29-17-5-2-1-3-6-17/h1-3,5-6,8-13,15H,4,7,14H2,(H,27,32)(H,28,31)(H2,29,30,33).
What are the key properties of 2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide?
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide has a molecular weight of 452.46 g/mol, XLogP of 4.76, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide is sourced from PubChem (CID 30779997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).