N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide

C16H15Cl2NO2 — CID 56581213

IUPACN-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C16H15Cl2NO2/c17-12-6-4-11(5-7-12)2-1-3-16(21)19-14-10-13(18)8-9-15(14)20/h4-10,20H,1-3H2,(H,19,21)
InChIKeySMKNQTPVDOAPEE-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.66
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide

N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide (PubChem CID 56581213) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide
PubChem CID56581213
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C16H15Cl2NO2/c17-12-6-4-11(5-7-12)2-1-3-16(21)19-14-10-13(18)8-9-15(14)20/h4-10,20H,1-3H2,(H,19,21)
InChIKeySMKNQTPVDOAPEE-UHFFFAOYSA-N
XLogP4.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
(2S)-2-amino-N'-(5-chloro-2-hydroxyphenyl)-N-(3-phenylpropyl)pentanediamide
CID 174842970
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
N-(5-chloro-2-methoxyphenyl)-4-(4-methoxy-3-methylphenyl)butanamide
CID 838505
4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide
CID 56581582
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
CID 842100
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide
CID 164852021
4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide
CID 47245712

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide (CID 56581213) is N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide is O=C(CCCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide?
The InChIKey is SMKNQTPVDOAPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c17-12-6-4-11(5-7-12)2-1-3-16(21)19-14-10-13(18)8-9-15(14)20/h4-10,20H,1-3H2,(H,19,21).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide?
N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide has a molecular weight of 324.21 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide is sourced from PubChem (CID 56581213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).