N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide

C13H15ClINO — CID 166607238

IUPACN-(3-chloro-4-iodophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(I)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H15ClINO/c14-11-8-10(6-7-12(11)15)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)
InChIKeyPKHPBWXSGQBWFG-UHFFFAOYSA-N
MW363.63 g/mol
LogP4.46
Rot. Bonds2

About N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide

N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide (PubChem CID 166607238) has the molecular formula C13H15ClINO and a molecular weight of 363.63 g/mol. Its IUPAC name is N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-iodophenyl)cyclohexanecarboxamide
PubChem CID166607238
Molecular FormulaC13H15ClINO
Molecular Weight363.63 g/mol
Exact Mass362.99
IUPAC NameN-(3-chloro-4-iodophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(I)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H15ClINO/c14-11-8-10(6-7-12(11)15)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)
InChIKeyPKHPBWXSGQBWFG-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
2-chloro-5-(cyclooctanecarbonylamino)benzoic acid
CID 65019289
2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
CID 62587194
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
CID 47408126
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]cyclohexanecarboxamide
CID 39186036
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
2-bromo-4-(cycloheptanecarbonylamino)benzenesulfonyl chloride
CID 62586848
N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 163584041
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide (CID 166607238) is N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide is O=C(Nc1ccc(I)c(Cl)c1)C1CCCCC1.
What is the InChIKey of N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide?
The InChIKey is PKHPBWXSGQBWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO/c14-11-8-10(6-7-12(11)15)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17).
What are the key properties of N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide?
N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide has a molecular weight of 363.63 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 166607238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).