2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide

C9H17ClN2O2 — CID 43372510

IUPAC2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide
SMILESCC(C)CC(C)NC(=O)NC(=O)CCl
InChIInChI=1S/C9H17ClN2O2/c1-6(2)4-7(3)11-9(14)12-8(13)5-10/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyYBTKLKHHAUDCNG-UHFFFAOYSA-N
MW220.70 g/mol
LogP1.49
Rot. Bonds4

About 2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide

2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide (PubChem CID 43372510) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide
PubChem CID43372510
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide
SMILESCC(C)CC(C)NC(=O)NC(=O)CCl
InChIInChI=1S/C9H17ClN2O2/c1-6(2)4-7(3)11-9(14)12-8(13)5-10/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyYBTKLKHHAUDCNG-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
CID 87981003
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 78972526
3-chloro-N-(6-methylheptan-2-ylcarbamoyl)propanamide
CID 54952807
(2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoic acid
CID 2795110
1,3-bis(4-aminopentan-2-yl)urea
CID 20820352
2-methyl-4-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 80540549
3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 61198782
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
methyl N-(4-methylpentan-2-yl)carbamate
CID 88914319
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
2-chloro-N-(ethylcarbamoyl)acetamide
CID 2304790
methyl (2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoate
CID 14260838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide (CID 43372510) is 2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide is CC(C)CC(C)NC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide?
The InChIKey is YBTKLKHHAUDCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O2/c1-6(2)4-7(3)11-9(14)12-8(13)5-10/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide?
2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide has a molecular weight of 220.70 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 43372510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).