(1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide

C14H18INO — CID 90130717

IUPAC(1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCC(I)C2)c(C)c1
InChIInChI=1S/C14H18INO/c1-9-3-6-13(10(2)7-9)16-14(17)11-4-5-12(15)8-11/h3,6-7,11-12H,4-5,8H2,1-2H3,(H,16,17)/t11-,12?/m1/s1
InChIKeyUETPMGMTGCXTML-JHJMLUEUSA-N
MW343.21 g/mol
LogP3.85
Rot. Bonds2

About (1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide

(1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide (PubChem CID 90130717) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is (1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide
PubChem CID90130717
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name(1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCC(I)C2)c(C)c1
InChIInChI=1S/C14H18INO/c1-9-3-6-13(10(2)7-9)16-14(17)11-4-5-12(15)8-11/h3,6-7,11-12H,4-5,8H2,1-2H3,(H,16,17)/t11-,12?/m1/s1
InChIKeyUETPMGMTGCXTML-JHJMLUEUSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149567
N-(2,4-dimethylphenyl)-4-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 157168995
9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120983348
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145123
1-N-(2,4-dimethylphenyl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150632
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea
CID 4282829
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide?
The IUPAC name of (1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide (CID 90130717) is (1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide.
What is the SMILES notation for (1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide?
The canonical SMILES for (1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCC(I)C2)c(C)c1.
What is the InChIKey of (1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide?
The InChIKey is UETPMGMTGCXTML-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H18INO/c1-9-3-6-13(10(2)7-9)16-14(17)11-4-5-12(15)8-11/h3,6-7,11-12H,4-5,8H2,1-2H3,(H,16,17)/t11-,12?/m1/s1.
What are the key properties of (1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide?
(1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide has a molecular weight of 343.21 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide is sourced from PubChem (CID 90130717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).