N-(2-chloro-2-phenylethyl)-4-methoxybenzamide

C16H16ClNO2 — CID 114296068

IUPACN-(2-chloro-2-phenylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(Cl)c2ccccc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-14-9-7-13(8-10-14)16(19)18-11-15(17)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeySHKPBUZXRDNBOK-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.41
Rot. Bonds5

About N-(2-chloro-2-phenylethyl)-4-methoxybenzamide

N-(2-chloro-2-phenylethyl)-4-methoxybenzamide (PubChem CID 114296068) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-4-methoxybenzamide
PubChem CID114296068
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(2-chloro-2-phenylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(Cl)c2ccccc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-14-9-7-13(8-10-14)16(19)18-11-15(17)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeySHKPBUZXRDNBOK-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
CID 102885176
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
4-ethyl-N-[(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylethyl]benzamide
CID 54166199
N-(2-chloro-4-methylpentyl)-4-methoxybenzamide
CID 107157339
[(1R)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439282
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439285
N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide
CID 114295622
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
N-(5-hydroxy-3-phenylpentyl)-4-methoxybenzamide
CID 121112144
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-phenylethynyl)benzamide
CID 43044722
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-4-methoxybenzamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-4-methoxybenzamide (CID 114296068) is N-(2-chloro-2-phenylethyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC(Cl)c2ccccc2)cc1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-4-methoxybenzamide?
The InChIKey is SHKPBUZXRDNBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-14-9-7-13(8-10-14)16(19)18-11-15(17)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-2-phenylethyl)-4-methoxybenzamide?
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)-4-methoxybenzamide is sourced from PubChem (CID 114296068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).