N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide

C26H25FN4O3 — CID 55898312

IUPACN-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccccc2F)cc1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C26H25FN4O3/c27-22-7-3-1-5-18(22)15-29-25(33)17-9-11-19(12-10-17)28-16-24(32)31-23-8-4-2-6-21(23)26(34)30-20-13-14-20/h1-12,20,28H,13-16H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyXYLYCCREIKRCBC-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.70
Rot. Bonds9

About N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide (PubChem CID 55898312) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide
PubChem CID55898312
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC NameN-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccccc2F)cc1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C26H25FN4O3/c27-22-7-3-1-5-18(22)15-29-25(33)17-9-11-19(12-10-17)28-16-24(32)31-23-8-4-2-6-21(23)26(34)30-20-13-14-20/h1-12,20,28H,13-16H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyXYLYCCREIKRCBC-UHFFFAOYSA-N
XLogP3.70
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 60536621
2-[[2-(4-carbamoylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 78793094
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 55896904
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166
N-cyclopropyl-2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 25353415
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide
CID 24614903
4-N-(1,1-dioxothiolan-3-yl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047168

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide (CID 55898312) is N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide is O=C(CNc1ccc(C(=O)NCc2ccccc2F)cc1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide?
The InChIKey is XYLYCCREIKRCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c27-22-7-3-1-5-18(22)15-29-25(33)17-9-11-19(12-10-17)28-16-24(32)31-23-8-4-2-6-21(23)26(34)30-20-13-14-20/h1-12,20,28H,13-16H2,(H,29,33)(H,30,34)(H,31,32).
What are the key properties of N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide has a molecular weight of 460.51 g/mol, XLogP of 3.70, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]benzamide is sourced from PubChem (CID 55898312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).