2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide

C20H24ClNO — CID 70521625

IUPAC2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide
SMILESCCc1ccccc1C(C)N(C(=O)C(Cl)CC)c1ccccc1
InChIInChI=1S/C20H24ClNO/c1-4-16-11-9-10-14-18(16)15(3)22(20(23)19(21)5-2)17-12-7-6-8-13-17/h6-15,19H,4-5H2,1-3H3
InChIKeyHMLIPDCZTGOINY-UHFFFAOYSA-N
MW329.87 g/mol
LogP5.36
Rot. Bonds6

About 2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide

2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide (PubChem CID 70521625) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide
PubChem CID70521625
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide
SMILESCCc1ccccc1C(C)N(C(=O)C(Cl)CC)c1ccccc1
InChIInChI=1S/C20H24ClNO/c1-4-16-11-9-10-14-18(16)15(3)22(20(23)19(21)5-2)17-12-7-6-8-13-17/h6-15,19H,4-5H2,1-3H3
InChIKeyHMLIPDCZTGOINY-UHFFFAOYSA-N
XLogP5.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide
CID 70598899
2-ethyl-N-(1-methoxyethyl)-N-phenylbutanamide
CID 67804139
1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene
CID 124596651
2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide
CID 5463823
2-(2-ethylphenyl)-2-fluoroacetic acid
CID 105425429
(2S)-2-(N-(2,2-dichloroacetyl)anilino)propanoic acid;hydrochloride
CID 70542986
2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid
CID 62414694
ethanol;1-(2-ethylphenyl)ethanol
CID 174807968
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
2-(2-ethylphenyl)butanamide
CID 69466890
4-(2-ethylphenyl)-4-hydroxy-3-methylbutanoic acid
CID 62390532
carbonic acid;1,2-diethylbenzene
CID 89388803

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide?
The IUPAC name of 2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide (CID 70521625) is 2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide.
What is the SMILES notation for 2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide?
The canonical SMILES for 2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide is CCc1ccccc1C(C)N(C(=O)C(Cl)CC)c1ccccc1.
What is the InChIKey of 2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide?
The InChIKey is HMLIPDCZTGOINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-4-16-11-9-10-14-18(16)15(3)22(20(23)19(21)5-2)17-12-7-6-8-13-17/h6-15,19H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide?
2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide has a molecular weight of 329.87 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide is sourced from PubChem (CID 70521625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).