2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide

C14H24Cl2N2O2 — CID 14435571

IUPAC2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide
SMILESCC1(NC(=O)CCl)CCC(C(C)(C)NC(=O)CCl)CC1
InChIInChI=1S/C14H24Cl2N2O2/c1-13(2,17-11(19)8-15)10-4-6-14(3,7-5-10)18-12(20)9-16/h10H,4-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFGFCCWANXZMWQQ-UHFFFAOYSA-N
MW323.26 g/mol
LogP2.42
Rot. Bonds5

About 2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide

2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide (PubChem CID 14435571) has the molecular formula C14H24Cl2N2O2 and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide
PubChem CID14435571
Molecular FormulaC14H24Cl2N2O2
Molecular Weight323.26 g/mol
Exact Mass322.12
IUPAC Name2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide
SMILESCC1(NC(=O)CCl)CCC(C(C)(C)NC(=O)CCl)CC1
InChIInChI=1S/C14H24Cl2N2O2/c1-13(2,17-11(19)8-15)10-4-6-14(3,7-5-10)18-12(20)9-16/h10H,4-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFGFCCWANXZMWQQ-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 52.42
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-methyloxan-4-yl)acetamide
CID 18437326
2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide
CID 67530857
2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044
4-amino-N-(2-cyclopropylpropan-2-yl)butanamide
CID 103795739
2-cyano-N-(2-cyclopropylpropan-2-yl)propanamide
CID 103718279
N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide
CID 71510577
2-chloro-N-(9-methyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)acetamide
CID 89120945
N-(2-cyclopropylpropan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 103809622
N-(1-methylcyclobutyl)propanamide
CID 115766065
1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114111630
N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184249
1-[(2-chloroacetyl)amino]-2-methylcyclopentane-1-carboxamide
CID 146088416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide (CID 14435571) is 2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide is CC1(NC(=O)CCl)CCC(C(C)(C)NC(=O)CCl)CC1.
What is the InChIKey of 2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide?
The InChIKey is FGFCCWANXZMWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Cl2N2O2/c1-13(2,17-11(19)8-15)10-4-6-14(3,7-5-10)18-12(20)9-16/h10H,4-9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide?
2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide has a molecular weight of 323.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide is sourced from PubChem (CID 14435571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).