N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide

C14H14Cl3NO — CID 100995756

IUPACN-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide
SMILESO=C(N(Cc1ccccc1)C1=CCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H14Cl3NO/c15-14(16,17)13(19)18(12-8-4-5-9-12)10-11-6-2-1-3-7-11/h1-3,6-8H,4-5,9-10H2
InChIKeyWACBIKWBCMNJPW-UHFFFAOYSA-N
MW318.63 g/mol
LogP4.45
Rot. Bonds3

About N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide

N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide (PubChem CID 100995756) has the molecular formula C14H14Cl3NO and a molecular weight of 318.63 g/mol. Its IUPAC name is N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide
PubChem CID100995756
Molecular FormulaC14H14Cl3NO
Molecular Weight318.63 g/mol
Exact Mass317.01
IUPAC NameN-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide
SMILESO=C(N(Cc1ccccc1)C1=CCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H14Cl3NO/c15-14(16,17)13(19)18(12-8-4-5-9-12)10-11-6-2-1-3-7-11/h1-3,6-8H,4-5,9-10H2
InChIKeyWACBIKWBCMNJPW-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.63
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)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

methyl 3-[benzyl(cyclohexen-1-yl)amino]-2,2-dichloro-3-oxopropanoate
CID 15892212
N-benzyl-2-bromo-N-(cyclohexen-1-yl)propanamide
CID 11565999
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
N-(cyclohexen-1-yl)-N-methyl-2-phenylacetamide
CID 15816334
N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide
CID 11086330
N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide
CID 101027288
N-benzyl-N-(cyclohexen-1-yl)-3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-ynamide
CID 135079346
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275
2-bromo-N-(cyclopenten-1-yl)-N-methylacetamide
CID 81222619
N-benzyl-2-[(4-bromophenyl)methyl-(2,2,2-trichloroacetyl)amino]benzamide
CID 3951281
[4-[benzyl-(2,2,2-trichloroacetyl)amino]cyclohexen-1-yl] acetate
CID 15400110
N-benzyl-N-(3,4-dihydronaphthalen-2-yl)acetamide
CID 10778914

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide?
The IUPAC name of N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide (CID 100995756) is N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide?
The canonical SMILES for N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide is O=C(N(Cc1ccccc1)C1=CCCC1)C(Cl)(Cl)Cl.
What is the InChIKey of N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide?
The InChIKey is WACBIKWBCMNJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3NO/c15-14(16,17)13(19)18(12-8-4-5-9-12)10-11-6-2-1-3-7-11/h1-3,6-8H,4-5,9-10H2.
What are the key properties of N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide?
N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide has a molecular weight of 318.63 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trichloro-N-(cyclopenten-1-yl)acetamide is sourced from PubChem (CID 100995756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).