5-(carbamoylamino)-N-(3-iodophenyl)pentanamide

C12H16IN3O2 — CID 47114708

IUPAC5-(carbamoylamino)-N-(3-iodophenyl)pentanamide
SMILESNC(=O)NCCCCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H16IN3O2/c13-9-4-3-5-10(8-9)16-11(17)6-1-2-7-15-12(14)18/h3-5,8H,1-2,6-7H2,(H,16,17)(H3,14,15,18)
InChIKeyQFLXHZGSRLANJE-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.07
Rot. Bonds6

About 5-(carbamoylamino)-N-(3-iodophenyl)pentanamide

5-(carbamoylamino)-N-(3-iodophenyl)pentanamide (PubChem CID 47114708) has the molecular formula C12H16IN3O2 and a molecular weight of 361.18 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-(3-iodophenyl)pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-(3-iodophenyl)pentanamide
PubChem CID47114708
Molecular FormulaC12H16IN3O2
Molecular Weight361.18 g/mol
Exact Mass361.03
IUPAC Name5-(carbamoylamino)-N-(3-iodophenyl)pentanamide
SMILESNC(=O)NCCCCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H16IN3O2/c13-9-4-3-5-10(8-9)16-11(17)6-1-2-7-15-12(14)18/h3-5,8H,1-2,6-7H2,(H,16,17)(H3,14,15,18)
InChIKeyQFLXHZGSRLANJE-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
5-(carbamoylamino)-N-(4-iodophenyl)pentanamide
CID 29404469
5-hydroxy-N-(3-iodophenyl)pentanamide
CID 79199444
4-hydroxy-N-(3-iodophenyl)butanamide
CID 79204561
N-(3-iodophenyl)octanamide
CID 55026619
5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 38207270
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
N-(4-bromo-3-methylphenyl)-5-(carbamoylamino)pentanamide
CID 29206931
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide
CID 35019095
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid
CID 54868224

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-(3-iodophenyl)pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-(3-iodophenyl)pentanamide (CID 47114708) is 5-(carbamoylamino)-N-(3-iodophenyl)pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-(3-iodophenyl)pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-(3-iodophenyl)pentanamide is NC(=O)NCCCCC(=O)Nc1cccc(I)c1.
What is the InChIKey of 5-(carbamoylamino)-N-(3-iodophenyl)pentanamide?
The InChIKey is QFLXHZGSRLANJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O2/c13-9-4-3-5-10(8-9)16-11(17)6-1-2-7-15-12(14)18/h3-5,8H,1-2,6-7H2,(H,16,17)(H3,14,15,18).
What are the key properties of 5-(carbamoylamino)-N-(3-iodophenyl)pentanamide?
5-(carbamoylamino)-N-(3-iodophenyl)pentanamide has a molecular weight of 361.18 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-N-(3-iodophenyl)pentanamide is sourced from PubChem (CID 47114708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).