N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride

C15H24Cl2N2O — CID 101418661

IUPACN-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride
SMILESO=C(CCl)N(/C(Cl)=N/C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H24Cl2N2O/c16-11-14(20)19(13-9-5-2-6-10-13)15(17)18-12-7-3-1-4-8-12/h12-13H,1-11H2/b18-15+
InChIKeyBFBZPECNLFFBFR-OBGWFSINSA-N
MW319.28 g/mol
LogP4.31
Rot. Bonds3

About N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride

N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride (PubChem CID 101418661) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride.

Molecular Properties

Compound NameN-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride
PubChem CID101418661
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC NameN-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride
SMILESO=C(CCl)N(/C(Cl)=N/C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H24Cl2N2O/c16-11-14(20)19(13-9-5-2-6-10-13)15(17)18-12-7-3-1-4-8-12/h12-13H,1-11H2/b18-15+
InChIKeyBFBZPECNLFFBFR-OBGWFSINSA-N
XLogP4.31
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

carbonochloridoyl(cyclohexyl)carbamic acid
CID 88834306
2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide
CID 154848803
2-chloro-N-cyclopentyl-N-propan-2-ylacetamide
CID 54592476
N-cyclopentyl-N-propanoylpropanamide
CID 89181027
2-amino-N-[2-chloroethyl(nitroso)carbamoyl]-N-cyclohexylacetamide
CID 11779004
N'-cyclohexyl-N-phenyl-N-[4-(trifluoromethyl)benzoyl]carbamimidoyl chloride
CID 102194055
2-cyclohexylguanidine;dihydroxy(dioxo)chromium
CID 158817655
2,2,2-trichloroacetic acid;1,1,2-tricyclohexylguanidine
CID 19868551
(propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate
CID 86664643
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
2-chloro-N-cyclooctyl-N-[(2-methyltetrazol-5-yl)methyl]acetamide
CID 154879431
ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate
CID 152645374

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride?
The IUPAC name of N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride (CID 101418661) is N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride.
What is the SMILES notation for N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride?
The canonical SMILES for N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride is O=C(CCl)N(/C(Cl)=N/C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride?
The InChIKey is BFBZPECNLFFBFR-OBGWFSINSA-N. The full InChI is InChI=1S/C15H24Cl2N2O/c16-11-14(20)19(13-9-5-2-6-10-13)15(17)18-12-7-3-1-4-8-12/h12-13H,1-11H2/b18-15+.
What are the key properties of N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride?
N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride has a molecular weight of 319.28 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)-N,N'-dicyclohexylcarbamimidoyl chloride is sourced from PubChem (CID 101418661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).