N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide

C19H22ClNO3 — CID 164852021

IUPACN-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide
SMILESCOCCOc1ccc(Cl)cc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C19H22ClNO3/c1-23-12-13-24-18-11-10-16(20)14-17(18)21-19(22)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,14H,5,8-9,12-13H2,1H3,(H,21,22)
InChIKeyCCJYGORIKYTMBP-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.33
Rot. Bonds9

About N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide

N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide (PubChem CID 164852021) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide
PubChem CID164852021
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide
SMILESCOCCOc1ccc(Cl)cc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C19H22ClNO3/c1-23-12-13-24-18-11-10-16(20)14-17(18)21-19(22)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,14H,5,8-9,12-13H2,1H3,(H,21,22)
InChIKeyCCJYGORIKYTMBP-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(5-chloro-2-methoxyphenyl)-4-(4-methoxy-3-methylphenyl)butanamide
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4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
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4-methoxy-3-(4-phenylbutanoylamino)benzamide
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N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
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CID 842100

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide (CID 164852021) is N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide is COCCOc1ccc(Cl)cc1NC(=O)CCCc1ccccc1.
What is the InChIKey of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide?
The InChIKey is CCJYGORIKYTMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-23-12-13-24-18-11-10-16(20)14-17(18)21-19(22)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,14H,5,8-9,12-13H2,1H3,(H,21,22).
What are the key properties of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide?
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide has a molecular weight of 347.84 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 164852021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).