2-chloro-N-(4,4-diphenylbutyl)acetamide

C18H20ClNO — CID 69448505

IUPAC2-chloro-N-(4,4-diphenylbutyl)acetamide
SMILESO=C(CCl)NCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20ClNO/c19-14-18(21)20-13-7-12-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,20,21)
InChIKeyFEHRVEAMFNFQHT-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.95
Rot. Bonds7

About 2-chloro-N-(4,4-diphenylbutyl)acetamide

2-chloro-N-(4,4-diphenylbutyl)acetamide (PubChem CID 69448505) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-chloro-N-(4,4-diphenylbutyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4,4-diphenylbutyl)acetamide
PubChem CID69448505
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-chloro-N-(4,4-diphenylbutyl)acetamide
SMILESO=C(CCl)NCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20ClNO/c19-14-18(21)20-13-7-12-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,20,21)
InChIKeyFEHRVEAMFNFQHT-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilino-3-phenylpropyl)-2-chloroacetamide
CID 13121261
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215
N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
CID 178070448
2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide
CID 57036315
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride
CID 146094450
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide
CID 102039118
N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide
CID 106156966
N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide
CID 18418681

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-diphenylbutyl)acetamide?
The IUPAC name of 2-chloro-N-(4,4-diphenylbutyl)acetamide (CID 69448505) is 2-chloro-N-(4,4-diphenylbutyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4,4-diphenylbutyl)acetamide?
The canonical SMILES for 2-chloro-N-(4,4-diphenylbutyl)acetamide is O=C(CCl)NCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-N-(4,4-diphenylbutyl)acetamide?
The InChIKey is FEHRVEAMFNFQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-14-18(21)20-13-7-12-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,20,21).
What are the key properties of 2-chloro-N-(4,4-diphenylbutyl)acetamide?
2-chloro-N-(4,4-diphenylbutyl)acetamide has a molecular weight of 301.82 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4-diphenylbutyl)acetamide is sourced from PubChem (CID 69448505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).