N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide

C16H22INO — CID 56518152

IUPACN-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(C(C)C)C2CCCC2)c1I
InChIInChI=1S/C16H22INO/c1-11(2)18(13-8-4-5-9-13)16(19)14-10-6-7-12(3)15(14)17/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeyKJTUMXJNNSZEGA-UHFFFAOYSA-N
MW371.26 g/mol
LogP4.39
Rot. Bonds3

About N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide

N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide (PubChem CID 56518152) has the molecular formula C16H22INO and a molecular weight of 371.26 g/mol. Its IUPAC name is N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide
PubChem CID56518152
Molecular FormulaC16H22INO
Molecular Weight371.26 g/mol
Exact Mass371.07
IUPAC NameN-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(C(C)C)C2CCCC2)c1I
InChIInChI=1S/C16H22INO/c1-11(2)18(13-8-4-5-9-13)16(19)14-10-6-7-12(3)15(14)17/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeyKJTUMXJNNSZEGA-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 56516891
N-(2-cyanoethyl)-N-cyclopropyl-2-iodo-3-methylbenzamide
CID 113239856
N-cyclohexyl-N-[2-(cyclohexylamino)-1-cyclopentyl-2-oxoethyl]-2-methylbenzamide
CID 145207901
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330
N-[2-(cycloheptylamino)ethyl]-2-iodo-3-methylbenzamide
CID 103807397
2-[cyclopentyl(3-methylbutyl)amino]-3-methylbenzoic acid
CID 107112300
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 8793679
acetyl 2-iodo-3-methylbenzoate
CID 175057557
3-[(2-methylbenzoyl)-propan-2-ylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798463
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide (CID 56518152) is N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide is Cc1cccc(C(=O)N(C(C)C)C2CCCC2)c1I.
What is the InChIKey of N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is KJTUMXJNNSZEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22INO/c1-11(2)18(13-8-4-5-9-13)16(19)14-10-6-7-12(3)15(14)17/h6-7,10-11,13H,4-5,8-9H2,1-3H3.
What are the key properties of N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide?
N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 371.26 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-iodo-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 56518152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).