2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide

C17H14ClF3N3O3P — CID 134441715

IUPAC2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide
SMILESCC(F)C(=O)Nc1cc(NC(=O)c2cc(NC=O)ccc2Cl)c(F)c(P)c1F
InChIInChI=1S/C17H14ClF3N3O3P/c1-7(19)16(26)23-11-5-12(14(21)15(28)13(11)20)24-17(27)9-4-8(22-6-25)2-3-10(9)18/h2-7H,28H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBZHRVMYXOZEVQQ-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.24
Rot. Bonds6

About 2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide

2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide (PubChem CID 134441715) has the molecular formula C17H14ClF3N3O3P and a molecular weight of 431.74 g/mol. Its IUPAC name is 2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide
PubChem CID134441715
Molecular FormulaC17H14ClF3N3O3P
Molecular Weight431.74 g/mol
Exact Mass431.04
IUPAC Name2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide
SMILESCC(F)C(=O)Nc1cc(NC(=O)c2cc(NC=O)ccc2Cl)c(F)c(P)c1F
InChIInChI=1S/C17H14ClF3N3O3P/c1-7(19)16(26)23-11-5-12(14(21)15(28)13(11)20)24-17(27)9-4-8(22-6-25)2-3-10(9)18/h2-7H,28H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBZHRVMYXOZEVQQ-UHFFFAOYSA-N
XLogP3.24
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-formamido-N-(2,4,6-trifluorophenyl)benzamide
CID 166842286
N-(2-chloro-4-formamidophenyl)-2-methylpropanamide
CID 168654137
2-fluoro-N-(4-fluorophenyl)-5-formamidobenzamide
CID 166842297
N-(5-acetamido-2,3,4-trifluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134417873
2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1297056
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide
CID 120569045
2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827
5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 95143326
5-acetamido-2-chloro-N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 50980049
2-chloro-5-(2-chloropropanoylamino)benzoic acid
CID 43701854
2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
CID 83768315

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide?
The IUPAC name of 2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide (CID 134441715) is 2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide.
What is the SMILES notation for 2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide?
The canonical SMILES for 2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide is CC(F)C(=O)Nc1cc(NC(=O)c2cc(NC=O)ccc2Cl)c(F)c(P)c1F.
What is the InChIKey of 2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide?
The InChIKey is BZHRVMYXOZEVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N3O3P/c1-7(19)16(26)23-11-5-12(14(21)15(28)13(11)20)24-17(27)9-4-8(22-6-25)2-3-10(9)18/h2-7H,28H2,1H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide?
2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide has a molecular weight of 431.74 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,4-difluoro-5-(2-fluoropropanoylamino)-3-phosphanylphenyl]-5-formamidobenzamide is sourced from PubChem (CID 134441715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).