4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide

C19H19ClN2O2 — CID 4882562

IUPAC4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide
SMILESC=CCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c1-2-12-21-19(24)17(13-14-6-4-3-5-7-14)22-18(23)15-8-10-16(20)11-9-15/h2-11,17H,1,12-13H2,(H,21,24)(H,22,23)
InChIKeyURFLWQXIXDMANY-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.98
Rot. Bonds7

About 4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide

4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide (PubChem CID 4882562) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide
PubChem CID4882562
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide
SMILESC=CCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c1-2-12-21-19(24)17(13-14-6-4-3-5-7-14)22-18(23)15-8-10-16(20)11-9-15/h2-11,17H,1,12-13H2,(H,21,24)(H,22,23)
InChIKeyURFLWQXIXDMANY-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55945210
N-[2-[[2-(carbamoylamino)-3-phenylpropanoyl]amino]ethyl]-4-chlorobenzamide
CID 86921350
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4001085
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478462
benzyl N-[(2R)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate
CID 18638334
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
4-chloro-N-[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4883303
4-chloro-N-[1-oxo-3-phenyl-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide
CID 46520850
4-chloro-N-[1-[4-[3-(dimethylamino)propanoylamino]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 146125938
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide (CID 4882562) is 4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide is C=CCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide?
The InChIKey is URFLWQXIXDMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-2-12-21-19(24)17(13-14-6-4-3-5-7-14)22-18(23)15-8-10-16(20)11-9-15/h2-11,17H,1,12-13H2,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide?
4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide is sourced from PubChem (CID 4882562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).