N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide

C12H15ClN2O — CID 78908309

IUPACN-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-2-7-14-9-12(16)15-8-10-3-5-11(13)6-4-10/h2-6,14H,1,7-9H2,(H,15,16)
InChIKeyHRRPBLKSIPWUMX-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.73
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide

N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide (PubChem CID 78908309) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
PubChem CID78908309
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-2-7-14-9-12(16)15-8-10-3-5-11(13)6-4-10/h2-6,14H,1,7-9H2,(H,15,16)
InChIKeyHRRPBLKSIPWUMX-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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'}

Analyze N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285936
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669
2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 79279865
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
N-[(4-chlorophenyl)methyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 7886969
2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide
CID 115919828
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 78912271
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide (CID 78908309) is N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is HRRPBLKSIPWUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-7-14-9-12(16)15-8-10-3-5-11(13)6-4-10/h2-6,14H,1,7-9H2,(H,15,16).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 238.72 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78908309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).