N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide

C18H19FN2O2 — CID 2943228

IUPACN-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-3-12(2)20-18(23)15-6-4-5-7-16(15)21-17(22)13-8-10-14(19)11-9-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAOGXBDXELXQYKL-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.61
Rot. Bonds5

About N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide

N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide (PubChem CID 2943228) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
PubChem CID2943228
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-3-12(2)20-18(23)15-6-4-5-7-16(15)21-17(22)13-8-10-14(19)11-9-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAOGXBDXELXQYKL-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2R)-butan-2-yl]-2-[(3-fluorobenzoyl)amino]benzamide
CID 26706214
N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059
N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 9172934
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
N-[(2S)-butan-2-yl]-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 26706277
N-butan-2-yl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 43013684
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide (CID 2943228) is N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide?
The InChIKey is AOGXBDXELXQYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-12(2)20-18(23)15-6-4-5-7-16(15)21-17(22)13-8-10-14(19)11-9-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide?
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide has a molecular weight of 314.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 2943228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).