2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide

C14H20FN3O2 — CID 18159420

IUPAC2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C14H20FN3O2/c1-3-9(2)12(18-14(16)20)13(19)17-8-10-6-4-5-7-11(10)15/h4-7,9,12H,3,8H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyJWKOUNJZCBZLMS-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.52
Rot. Bonds6

About 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide

2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide (PubChem CID 18159420) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
PubChem CID18159420
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C14H20FN3O2/c1-3-9(2)12(18-14(16)20)13(19)17-8-10-6-4-5-7-11(10)15/h4-7,9,12H,3,8H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyJWKOUNJZCBZLMS-UHFFFAOYSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide
CID 2713290
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 2671676
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 3957835
(2S,3R)-2-(carbamoylamino)-N-[(3,4-dimethoxyphenyl)methyl]-3-methylpentanamide
CID 2126900
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
benzyl 2-[[(2S,3R)-2-(carbamoylamino)-3-methylpentanoyl]amino]acetate
CID 51648070
benzyl 2-[[(2S,3S)-2-(carbamoylamino)-3-methylpentanoyl]amino]acetate
CID 7613315
tert-butyl N-[1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 110409696
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide (CID 18159420) is 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide is CCC(C)C(NC(N)=O)C(=O)NCc1ccccc1F.
What is the InChIKey of 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide?
The InChIKey is JWKOUNJZCBZLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-3-9(2)12(18-14(16)20)13(19)17-8-10-6-4-5-7-11(10)15/h4-7,9,12H,3,8H2,1-2H3,(H,17,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide?
2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide has a molecular weight of 281.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 18159420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).