N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide

C14H18INO3 — CID 145020440

IUPACN-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide
SMILESC=C(I)CN(CCCC)C(=O)c1cccc(O)c1O
InChIInChI=1S/C14H18INO3/c1-3-4-8-16(9-10(2)15)14(19)11-6-5-7-12(17)13(11)18/h5-7,17-18H,2-4,8-9H2,1H3
InChIKeyAVXMUBAVONSTGB-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.29
Rot. Bonds6

About N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide

N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide (PubChem CID 145020440) has the molecular formula C14H18INO3 and a molecular weight of 375.21 g/mol. Its IUPAC name is N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide.

Molecular Properties

Compound NameN-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide
PubChem CID145020440
Molecular FormulaC14H18INO3
Molecular Weight375.21 g/mol
Exact Mass375.03
IUPAC NameN-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide
SMILESC=C(I)CN(CCCC)C(=O)c1cccc(O)c1O
InChIInChI=1S/C14H18INO3/c1-3-4-8-16(9-10(2)15)14(19)11-6-5-7-12(17)13(11)18/h5-7,17-18H,2-4,8-9H2,1H3
InChIKeyAVXMUBAVONSTGB-UHFFFAOYSA-N
XLogP3.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
CID 114344176
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
CID 102993947
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[(2,3-dihydroxybenzoyl)-pentylamino]acetate
CID 138532010
2-bromo-N,N-dibutylbenzamide
CID 2843235
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
2-methyl-N,N-dipentylbenzamide
CID 4576290
N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide
CID 114344418

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide?
The IUPAC name of N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide (CID 145020440) is N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide.
What is the SMILES notation for N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide?
The canonical SMILES for N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide is C=C(I)CN(CCCC)C(=O)c1cccc(O)c1O.
What is the InChIKey of N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide?
The InChIKey is AVXMUBAVONSTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO3/c1-3-4-8-16(9-10(2)15)14(19)11-6-5-7-12(17)13(11)18/h5-7,17-18H,2-4,8-9H2,1H3.
What are the key properties of N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide?
N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide has a molecular weight of 375.21 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide is sourced from PubChem (CID 145020440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).