3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride

C12H14ClF2IN2O — CID 119764593

IUPAC3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2cc(F)c(I)c(F)c2)C1
InChIInChI=1S/C12H13F2IN2O.ClH/c13-9-4-8(5-10(14)11(9)15)17-12(18)6-1-2-7(16)3-6;/h4-7H,1-3,16H2,(H,17,18);1H
InChIKeyAREQHYWGPBDLHS-UHFFFAOYSA-N
MW402.61 g/mol
LogP3.06
Rot. Bonds2

About 3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119764593) has the molecular formula C12H14ClF2IN2O and a molecular weight of 402.61 g/mol. Its IUPAC name is 3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119764593
Molecular FormulaC12H14ClF2IN2O
Molecular Weight402.61 g/mol
Exact Mass401.98
IUPAC Name3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2cc(F)c(I)c(F)c2)C1
InChIInChI=1S/C12H13F2IN2O.ClH/c13-9-4-8(5-10(14)11(9)15)17-12(18)6-1-2-7(16)3-6;/h4-7H,1-3,16H2,(H,17,18);1H
InChIKeyAREQHYWGPBDLHS-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.61
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119707997
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide
CID 119312519
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119709839
3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119725618
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate
CID 119673682

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119764593) is 3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2cc(F)c(I)c(F)c2)C1.
What is the InChIKey of 3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is AREQHYWGPBDLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2IN2O.ClH/c13-9-4-8(5-10(14)11(9)15)17-12(18)6-1-2-7(16)3-6;/h4-7H,1-3,16H2,(H,17,18);1H.
What are the key properties of 3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 402.61 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119764593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).