N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide

C16H13ClN2O2 — CID 5369556

IUPACN-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H13ClN2O2/c17-13-8-6-11(7-9-13)10-14(15(18)20)19-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,20)(H,19,21)/b14-10-
InChIKeySXDWXPXVZPDUFP-UVTDQMKNSA-N
MW300.75 g/mol
LogP2.60
Rot. Bonds4

About N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 5369556) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID5369556
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H13ClN2O2/c17-13-8-6-11(7-9-13)10-14(15(18)20)19-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,20)(H,19,21)/b14-10-
InChIKeySXDWXPXVZPDUFP-UVTDQMKNSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide (CID 5369556) is N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide is NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is SXDWXPXVZPDUFP-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-8-6-11(7-9-13)10-14(15(18)20)19-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,20)(H,19,21)/b14-10-.
What are the key properties of N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 300.75 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5369556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).