N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide

C14H17FINO — CID 104918053

IUPACN-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C14H17FINO/c1-14(2)7-3-4-10(14)13(18)17-12-6-5-9(15)8-11(12)16/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyMLTPEXDDRRBGKK-UHFFFAOYSA-N
MW361.20 g/mol
LogP4.20
Rot. Bonds2

About N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 104918053) has the molecular formula C14H17FINO and a molecular weight of 361.20 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID104918053
Molecular FormulaC14H17FINO
Molecular Weight361.20 g/mol
Exact Mass361.03
IUPAC NameN-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C14H17FINO/c1-14(2)7-3-4-10(14)13(18)17-12-6-5-9(15)8-11(12)16/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyMLTPEXDDRRBGKK-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 54.20
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

2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 107175114
N-(5-fluoro-2-sulfamoylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107182877
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107174661
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid
CID 107175258
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107174662
1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79766775
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
N-(4-fluoro-2-iodophenyl)-1,1-dioxothiane-2-carboxamide
CID 104519526
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid
CID 107175171
N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107068357

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 104918053) is N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is MLTPEXDDRRBGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FINO/c1-14(2)7-3-4-10(14)13(18)17-12-6-5-9(15)8-11(12)16/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104918053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).