N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

C18H25FN2O2 — CID 99794724

IUPACN-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N(C)C1CCCC1
InChIInChI=1S/C18H25FN2O2/c1-12(2)16(18(23)21(3)15-6-4-5-7-15)20-17(22)13-8-10-14(19)11-9-13/h8-12,15-16H,4-7H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyJMGMJDNZZYIOPK-MRXNPFEDSA-N
MW320.41 g/mol
LogP2.98
Rot. Bonds5

About N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide (PubChem CID 99794724) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
PubChem CID99794724
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N(C)C1CCCC1
InChIInChI=1S/C18H25FN2O2/c1-12(2)16(18(23)21(3)15-6-4-5-7-15)20-17(22)13-8-10-14(19)11-9-13/h8-12,15-16H,4-7H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyJMGMJDNZZYIOPK-MRXNPFEDSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51268308
4-fluoro-N-[3-methyl-1-[methyl(propan-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 86920284
N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 99794728
4-methoxy-N-[3-methyl-1-[methyl(pyrrolidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 119551898
N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 78795819
4-fluoro-N-[3-methyl-1-(2-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzamide
CID 51145484
N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
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4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 78796304
[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 9491965
4-fluoro-N-[3-methyl-1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 42904951
4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide (CID 99794724) is N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide is CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N(C)C1CCCC1.
What is the InChIKey of N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The InChIKey is JMGMJDNZZYIOPK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-12(2)16(18(23)21(3)15-6-4-5-7-15)20-17(22)13-8-10-14(19)11-9-13/h8-12,15-16H,4-7H2,1-3H3,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide has a molecular weight of 320.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 99794724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).