N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide

C14H19ClN2O2 — CID 111423199

IUPACN-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
SMILESC=CCN(CCO)CCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-2-7-17(9-10-18)8-6-14(19)16-13-5-3-4-12(15)11-13/h2-5,11,18H,1,6-10H2,(H,16,19)
InChIKeyFAAVRYZZGSYVRT-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.15
Rot. Bonds8

About N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide

N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide (PubChem CID 111423199) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
PubChem CID111423199
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
SMILESC=CCN(CCO)CCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-2-7-17(9-10-18)8-6-14(19)16-13-5-3-4-12(15)11-13/h2-5,11,18H,1,6-10H2,(H,16,19)
InChIKeyFAAVRYZZGSYVRT-UHFFFAOYSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112461
N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012094
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423165
methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate
CID 62027371
2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid
CID 63065919
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
3-[2-hydroxyethyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 111423304
N-(4-bromo-2-fluorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
CID 111423200
potassium [3-(3-chloroanilino)-3-oxopropyl]-trifluoroboranuide
CID 91759454
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide (CID 111423199) is N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide is C=CCN(CCO)CCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide?
The InChIKey is FAAVRYZZGSYVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-7-17(9-10-18)8-6-14(19)16-13-5-3-4-12(15)11-13/h2-5,11,18H,1,6-10H2,(H,16,19).
What are the key properties of N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide?
N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide has a molecular weight of 282.77 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide is sourced from PubChem (CID 111423199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).