N-chloro-N-methoxy-3-phenylpropanamide

C10H12ClNO2 — CID 10443211

IUPACN-chloro-N-methoxy-3-phenylpropanamide
SMILESCON(Cl)C(=O)CCc1ccccc1
InChIInChI=1S/C10H12ClNO2/c1-14-12(11)10(13)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyIMCPYDOLNSIHMT-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.16
Rot. Bonds4

About N-chloro-N-methoxy-3-phenylpropanamide

N-chloro-N-methoxy-3-phenylpropanamide (PubChem CID 10443211) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-chloro-N-methoxy-3-phenylpropanamide.

Molecular Properties

Compound NameN-chloro-N-methoxy-3-phenylpropanamide
PubChem CID10443211
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-chloro-N-methoxy-3-phenylpropanamide
SMILESCON(Cl)C(=O)CCc1ccccc1
InChIInChI=1S/C10H12ClNO2/c1-14-12(11)10(13)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyIMCPYDOLNSIHMT-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-chloro-N-methoxy-3-phenylpropanamide 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-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide
CID 71423606
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
ethane;3-phenylpropanoyl chloride
CID 90742356
N-(2-bromophenyl)-N-methyl-3-phenylpropanamide
CID 66744699
N-(2-chlorophenyl)-N-methyl-3-phenylpropanamide
CID 66744923
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
ethyl carbonochloridate;3-phenylpropanoic acid
CID 174421016
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-methoxy-3-phenylpropanamide?
The IUPAC name of N-chloro-N-methoxy-3-phenylpropanamide (CID 10443211) is N-chloro-N-methoxy-3-phenylpropanamide.
What is the SMILES notation for N-chloro-N-methoxy-3-phenylpropanamide?
The canonical SMILES for N-chloro-N-methoxy-3-phenylpropanamide is CON(Cl)C(=O)CCc1ccccc1.
What is the InChIKey of N-chloro-N-methoxy-3-phenylpropanamide?
The InChIKey is IMCPYDOLNSIHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-12(11)10(13)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of N-chloro-N-methoxy-3-phenylpropanamide?
N-chloro-N-methoxy-3-phenylpropanamide has a molecular weight of 213.66 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-methoxy-3-phenylpropanamide is sourced from PubChem (CID 10443211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).