N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide

C12H15ClN2O — CID 109012094

IUPACN-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O/c1-2-7-14-8-6-12(16)15-11-5-3-4-10(13)9-11/h2-5,9,14H,1,6-8H2,(H,15,16)
InChIKeyFHGMCGDPFQDXEN-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.44
Rot. Bonds6

About N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide

N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide (PubChem CID 109012094) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
PubChem CID109012094
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O/c1-2-7-14-8-6-12(16)15-11-5-3-4-10(13)9-11/h2-5,9,14H,1,6-8H2,(H,15,16)
InChIKeyFHGMCGDPFQDXEN-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide
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CID 109033817
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
N'-(3-chlorophenyl)-N-prop-2-enyloxamide
CID 2058074
N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
CID 111423199
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019663
potassium [3-(3-chloroanilino)-3-oxopropyl]-trifluoroboranuide
CID 91759454
[2-(3-chloroanilino)-2-oxoethyl]-bis(prop-2-enyl)azanium chloride
CID 30597
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide (CID 109012094) is N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide is C=CCNCCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide?
The InChIKey is FHGMCGDPFQDXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-7-14-8-6-12(16)15-11-5-3-4-10(13)9-11/h2-5,9,14H,1,6-8H2,(H,15,16).
What are the key properties of N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide?
N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide has a molecular weight of 238.72 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide is sourced from PubChem (CID 109012094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).