(2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide

C13H18ClN3O2 — CID 94200899

IUPAC(2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide
SMILESCCC[C@@H](NC(N)=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-2-5-11(17-13(15)19)12(18)16-8-9-6-3-4-7-10(9)14/h3-4,6-7,11H,2,5,8H2,1H3,(H,16,18)(H3,15,17,19)/t11-/m1/s1
InChIKeyOXFFATHKJXVNOJ-LLVKDONJSA-N
MW283.76 g/mol
LogP1.79
Rot. Bonds6

About (2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide

(2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide (PubChem CID 94200899) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide
PubChem CID94200899
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name(2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide
SMILESCCC[C@@H](NC(N)=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-2-5-11(17-13(15)19)12(18)16-8-9-6-3-4-7-10(9)14/h3-4,6-7,11H,2,5,8H2,1H3,(H,16,18)(H3,15,17,19)/t11-/m1/s1
InChIKeyOXFFATHKJXVNOJ-LLVKDONJSA-N
XLogP1.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]pentanoic acid
CID 43631782
(2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide
CID 119497921
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
2-bromo-N-[1-[(2-chlorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 43001938
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
2-(carbamoylamino)-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 55802358
1-(2-aminohexanoylamino)-3-[(2-chlorophenyl)methyl]urea
CID 11426966
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
(Z)-3-amino-2-[(2-chlorophenyl)methylamino]but-2-enoic acid
CID 143054332
2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide
CID 103528530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide (CID 94200899) is (2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide is CCC[C@@H](NC(N)=O)C(=O)NCc1ccccc1Cl.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide?
The InChIKey is OXFFATHKJXVNOJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-5-11(17-13(15)19)12(18)16-8-9-6-3-4-7-10(9)14/h3-4,6-7,11H,2,5,8H2,1H3,(H,16,18)(H3,15,17,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide?
(2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide has a molecular weight of 283.76 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-[(2-chlorophenyl)methyl]pentanamide is sourced from PubChem (CID 94200899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).