4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide

C19H24FN3O2 — CID 118049701

IUPAC4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide
SMILESCNc1ccc(F)c(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)c1
InChIInChI=1S/C19H24FN3O2/c1-22-13-2-3-15(20)14(6-13)17(24)23-16-11-4-10-5-12(16)9-19(7-10,8-11)18(21)25/h2-3,6,10-12,16,22H,4-5,7-9H2,1H3,(H2,21,25)(H,23,24)
InChIKeyVHXCCAGPDPBPOJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.28
Rot. Bonds4

About 4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide

4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide (PubChem CID 118049701) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide
PubChem CID118049701
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide
SMILESCNc1ccc(F)c(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)c1
InChIInChI=1S/C19H24FN3O2/c1-22-13-2-3-15(20)14(6-13)17(24)23-16-11-4-10-5-12(16)9-19(7-10,8-11)18(21)25/h2-3,6,10-12,16,22H,4-5,7-9H2,1H3,(H2,21,25)(H,23,24)
InChIKeyVHXCCAGPDPBPOJ-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-[(2-fluorobenzoyl)amino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035157
4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260382
N-(5-carbamoyl-2-adamantyl)-5-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 71089637
4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260381
N-(5-carbamoyl-2-adamantyl)-5-(4-methylphenyl)furan-2-carboxamide
CID 71089626
(3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide
CID 11696680
4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294198
1-carbamoyl-4-[[1-(3-fluoro-4-methyl-N-sulfinoanilino)cyclobutanecarbonyl]amino]adamantane
CID 71247556
(3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118049692
4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118035168
4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 118035384
N-[(1R,3S)-5-carbamoyl-2-adamantyl]-5-(2-chlorophenyl)-1-methylpyrrole-2-carboxamide
CID 71479373

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide (CID 118049701) is 4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide is CNc1ccc(F)c(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)c1.
What is the InChIKey of 4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide?
The InChIKey is VHXCCAGPDPBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-22-13-2-3-15(20)14(6-13)17(24)23-16-11-4-10-5-12(16)9-19(7-10,8-11)18(21)25/h2-3,6,10-12,16,22H,4-5,7-9H2,1H3,(H2,21,25)(H,23,24).
What are the key properties of 4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide?
4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 118049701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).