2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide

C19H19ClN2O3 — CID 46461330

IUPAC2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide
SMILESC=CCOc1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-2-13-25-15-9-7-14(8-10-15)18(23)21-11-12-22-19(24)16-5-3-4-6-17(16)20/h2-10H,1,11-13H2,(H,21,23)(H,22,24)
InChIKeyPXRCXYCVZINFQU-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.06
Rot. Bonds8

About 2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide

2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide (PubChem CID 46461330) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide
PubChem CID46461330
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide
SMILESC=CCOc1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-2-13-25-15-9-7-14(8-10-15)18(23)21-11-12-22-19(24)16-5-3-4-6-17(16)20/h2-10H,1,11-13H2,(H,21,23)(H,22,24)
InChIKeyPXRCXYCVZINFQU-UHFFFAOYSA-N
XLogP3.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40742879
N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide
CID 115627677
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide
CID 54785453
2-chloro-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 46461477
N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide
CID 111461166
N-[(2S)-2-hydroxypropyl]-4-prop-2-enoxybenzamide
CID 83030992
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
4-[(2-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 6462842
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide (CID 46461330) is 2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide is C=CCOc1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide?
The InChIKey is PXRCXYCVZINFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-2-13-25-15-9-7-14(8-10-15)18(23)21-11-12-22-19(24)16-5-3-4-6-17(16)20/h2-10H,1,11-13H2,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide?
2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide has a molecular weight of 358.83 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 46461330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).