N-benzhydryl-2-chloro-N-methylacetamide

C16H16ClNO — CID 2453623

IUPACN-benzhydryl-2-chloro-N-methylacetamide
SMILESCN(C(=O)CCl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-18(15(19)12-17)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3
InChIKeyBQEVQASRAQBROG-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.47
Rot. Bonds4

About N-benzhydryl-2-chloro-N-methylacetamide

N-benzhydryl-2-chloro-N-methylacetamide (PubChem CID 2453623) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-benzhydryl-2-chloro-N-methylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-chloro-N-methylacetamide
PubChem CID2453623
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-benzhydryl-2-chloro-N-methylacetamide
SMILESCN(C(=O)CCl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-18(15(19)12-17)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3
InChIKeyBQEVQASRAQBROG-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-chloro-N-methylacetamide?
The IUPAC name of N-benzhydryl-2-chloro-N-methylacetamide (CID 2453623) is N-benzhydryl-2-chloro-N-methylacetamide.
What is the SMILES notation for N-benzhydryl-2-chloro-N-methylacetamide?
The canonical SMILES for N-benzhydryl-2-chloro-N-methylacetamide is CN(C(=O)CCl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-chloro-N-methylacetamide?
The InChIKey is BQEVQASRAQBROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-18(15(19)12-17)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3.
What are the key properties of N-benzhydryl-2-chloro-N-methylacetamide?
N-benzhydryl-2-chloro-N-methylacetamide has a molecular weight of 273.76 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-chloro-N-methylacetamide is sourced from PubChem (CID 2453623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).