4-(4-hydroxyphenyl)-2-iodobutanamide

C10H12INO2 — CID 57297993

IUPAC4-(4-hydroxyphenyl)-2-iodobutanamide
SMILESNC(=O)C(I)CCc1ccc(O)cc1
InChIInChI=1S/C10H12INO2/c11-9(10(12)14)6-3-7-1-4-8(13)5-2-7/h1-2,4-5,9,13H,3,6H2,(H2,12,14)
InChIKeyGDQUKAMEUYSNQR-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.61
Rot. Bonds4

About 4-(4-hydroxyphenyl)-2-iodobutanamide

4-(4-hydroxyphenyl)-2-iodobutanamide (PubChem CID 57297993) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-2-iodobutanamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-2-iodobutanamide
PubChem CID57297993
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name4-(4-hydroxyphenyl)-2-iodobutanamide
SMILESNC(=O)C(I)CCc1ccc(O)cc1
InChIInChI=1S/C10H12INO2/c11-9(10(12)14)6-3-7-1-4-8(13)5-2-7/h1-2,4-5,9,13H,3,6H2,(H2,12,14)
InChIKeyGDQUKAMEUYSNQR-UHFFFAOYSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-3-hydroxypropyl)phenol
CID 57225186
2-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]acetamide
CID 82978784
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
CID 61212956
(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
(2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide
CID 156702322
2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
CID 67114059
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
CID 55104650
4-(3-aminopropyl)phenol
CID 4574248
4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol
CID 66690172
4-(2-aminoethyl)phenol;phosphoric acid
CID 3029836

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-2-iodobutanamide?
The IUPAC name of 4-(4-hydroxyphenyl)-2-iodobutanamide (CID 57297993) is 4-(4-hydroxyphenyl)-2-iodobutanamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-2-iodobutanamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-2-iodobutanamide is NC(=O)C(I)CCc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-2-iodobutanamide?
The InChIKey is GDQUKAMEUYSNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c11-9(10(12)14)6-3-7-1-4-8(13)5-2-7/h1-2,4-5,9,13H,3,6H2,(H2,12,14).
What are the key properties of 4-(4-hydroxyphenyl)-2-iodobutanamide?
4-(4-hydroxyphenyl)-2-iodobutanamide has a molecular weight of 305.12 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-2-iodobutanamide is sourced from PubChem (CID 57297993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).