N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide

C16H13IN2O2 — CID 2925592

IUPACN-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide
SMILESNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1I
InChIInChI=1S/C16H13IN2O2/c17-13-9-5-4-8-12(13)16(21)19-14(15(18)20)10-11-6-2-1-3-7-11/h1-10H,(H2,18,20)(H,19,21)
InChIKeyHAUKKSNOOBNVGU-UHFFFAOYSA-N
MW392.20 g/mol
LogP2.55
Rot. Bonds4

About N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide

N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide (PubChem CID 2925592) has the molecular formula C16H13IN2O2 and a molecular weight of 392.20 g/mol. Its IUPAC name is N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide
PubChem CID2925592
Molecular FormulaC16H13IN2O2
Molecular Weight392.20 g/mol
Exact Mass392.00
IUPAC NameN-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide
SMILESNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1I
InChIInChI=1S/C16H13IN2O2/c17-13-9-5-4-8-12(13)16(21)19-14(15(18)20)10-11-6-2-1-3-7-11/h1-10H,(H2,18,20)(H,19,21)
InChIKeyHAUKKSNOOBNVGU-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-[(2-iodobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 26772050
N-[(Z)-3-amino-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 7380729
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 889716
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 2896836
N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide
CID 3697054
(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-iodobenzoyl)amino]prop-2-enoic acid
CID 2187684
N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide
CID 6512518
(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-iodobenzoyl)amino]prop-2-enoate
CID 2187683
N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-iodobenzamide
CID 46498625
2-iodobenzamide
CID 160670857
(E)-2-chloro-3-phenylprop-2-enamide
CID 909679
(E)-3-[4-(2-iodophenoxy)phenyl]-2-(naphthalene-1-carbonylamino)prop-2-enoic acid
CID 22148545

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide?
The IUPAC name of N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide (CID 2925592) is N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide is NC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1I.
What is the InChIKey of N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide?
The InChIKey is HAUKKSNOOBNVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O2/c17-13-9-5-4-8-12(13)16(21)19-14(15(18)20)10-11-6-2-1-3-7-11/h1-10H,(H2,18,20)(H,19,21).
What are the key properties of N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide?
N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide has a molecular weight of 392.20 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxo-1-phenylprop-1-en-2-yl)-2-iodobenzamide is sourced from PubChem (CID 2925592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).