N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide

C14H17IN2O2 — CID 112727989

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide
SMILESO=C(CCCNC(=O)c1ccc(I)cc1)NC1CC1
InChIInChI=1S/C14H17IN2O2/c15-11-5-3-10(4-6-11)14(19)16-9-1-2-13(18)17-12-7-8-12/h3-6,12H,1-2,7-9H2,(H,16,19)(H,17,18)
InChIKeyHELUFLYYUXYZEX-UHFFFAOYSA-N
MW372.21 g/mol
LogP2.08
Rot. Bonds6

About N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide

N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide (PubChem CID 112727989) has the molecular formula C14H17IN2O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide
PubChem CID112727989
Molecular FormulaC14H17IN2O2
Molecular Weight372.21 g/mol
Exact Mass372.03
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide
SMILESO=C(CCCNC(=O)c1ccc(I)cc1)NC1CC1
InChIInChI=1S/C14H17IN2O2/c15-11-5-3-10(4-6-11)14(19)16-9-1-2-13(18)17-12-7-8-12/h3-6,12H,1-2,7-9H2,(H,16,19)(H,17,18)
InChIKeyHELUFLYYUXYZEX-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
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

6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 112731614
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
N-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)-4-oxobutyl]-4-chlorobenzamide
CID 75626484
4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide
CID 103826611
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
CID 84533747
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide (CID 112727989) is N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide is O=C(CCCNC(=O)c1ccc(I)cc1)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide?
The InChIKey is HELUFLYYUXYZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O2/c15-11-5-3-10(4-6-11)14(19)16-9-1-2-13(18)17-12-7-8-12/h3-6,12H,1-2,7-9H2,(H,16,19)(H,17,18).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide has a molecular weight of 372.21 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide is sourced from PubChem (CID 112727989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).