2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide

C11H19ClN2O2 — CID 43614380

IUPAC2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide
SMILESCN(C(=O)NC(=O)CCl)C1CCCCCC1
InChIInChI=1S/C11H19ClN2O2/c1-14(11(16)13-10(15)8-12)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,13,15,16)
InChIKeyLPPCEFIDCXTHNE-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.12
Rot. Bonds2

About 2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide

2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide (PubChem CID 43614380) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide
PubChem CID43614380
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide
SMILESCN(C(=O)NC(=O)CCl)C1CCCCCC1
InChIInChI=1S/C11H19ClN2O2/c1-14(11(16)13-10(15)8-12)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,13,15,16)
InChIKeyLPPCEFIDCXTHNE-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide
CID 43146223
1-cyclobutyl-1,3-dimethylurea
CID 66861755
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503671
4-[[cyclohexyl(methyl)carbamoyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992058
3-(2-chloroethyl)-1-cyclopropyl-1-methylurea
CID 131224317
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091
N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide
CID 61444001
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide (CID 43614380) is 2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide is CN(C(=O)NC(=O)CCl)C1CCCCCC1.
What is the InChIKey of 2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide?
The InChIKey is LPPCEFIDCXTHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-14(11(16)13-10(15)8-12)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H,13,15,16).
What are the key properties of 2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide?
2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide has a molecular weight of 246.74 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide is sourced from PubChem (CID 43614380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).