N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide

C23H20FN3O2 — CID 43057660

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide
SMILESO=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1Nc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O2/c24-16-10-12-17(13-11-16)25-21-7-2-1-6-20(21)23(29)27-19-5-3-4-18(14-19)26-22(28)15-8-9-15/h1-7,10-15,25H,8-9H2,(H,26,28)(H,27,29)
InChIKeyDTGJGSXTFTXMHT-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.17
Rot. Bonds6

About N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide

N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide (PubChem CID 43057660) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide
PubChem CID43057660
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide
SMILESO=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1Nc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O2/c24-16-10-12-17(13-11-16)25-21-7-2-1-6-20(21)23(29)27-19-5-3-4-18(14-19)26-22(28)15-8-9-15/h1-7,10-15,25H,8-9H2,(H,26,28)(H,27,29)
InChIKeyDTGJGSXTFTXMHT-UHFFFAOYSA-N
XLogP5.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide
CID 4942014
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 55585903
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide (CID 43057660) is N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide is O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1Nc1ccc(F)cc1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide?
The InChIKey is DTGJGSXTFTXMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-16-10-12-17(13-11-16)25-21-7-2-1-6-20(21)23(29)27-19-5-3-4-18(14-19)26-22(28)15-8-9-15/h1-7,10-15,25H,8-9H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide has a molecular weight of 389.43 g/mol, XLogP of 5.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(4-fluoroanilino)benzamide is sourced from PubChem (CID 43057660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).