4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide

C18H18F2N2O2 — CID 86821558

IUPAC4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H18F2N2O2/c1-10(2)21-17(23)12-4-7-16(11(3)8-12)22-18(24)14-9-13(19)5-6-15(14)20/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyXDKFIGPPROKAJN-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.66
Rot. Bonds4

About 4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide

4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide (PubChem CID 86821558) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide
PubChem CID86821558
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H18F2N2O2/c1-10(2)21-17(23)12-4-7-16(11(3)8-12)22-18(24)14-9-13(19)5-6-15(14)20/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyXDKFIGPPROKAJN-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide
CID 107021333
1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43714021
5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 86821543
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide
CID 43706640
3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 136578574
2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 2397902
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432
1-(3-fluorophenyl)-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47859630
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide (CID 86821558) is 4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide is Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc(F)ccc1F.
What is the InChIKey of 4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is XDKFIGPPROKAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-10(2)21-17(23)12-4-7-16(11(3)8-12)22-18(24)14-9-13(19)5-6-15(14)20/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide?
4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 332.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 86821558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).