N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide

C18H17ClN2O2 — CID 55369407

IUPACN-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1O
InChIInChI=1S/C18H17ClN2O2/c19-13-8-9-17(22)16(10-13)21-18(23)7-3-4-12-11-20-15-6-2-1-5-14(12)15/h1-2,5-6,8-11,20,22H,3-4,7H2,(H,21,23)
InChIKeyIIOZZTPSFHKYOD-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.49
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide

N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide (PubChem CID 55369407) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
PubChem CID55369407
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1O
InChIInChI=1S/C18H17ClN2O2/c19-13-8-9-17(22)16(10-13)21-18(23)7-3-4-12-11-20-15-6-2-1-5-14(12)15/h1-2,5-6,8-11,20,22H,3-4,7H2,(H,21,23)
InChIKeyIIOZZTPSFHKYOD-UHFFFAOYSA-N
XLogP4.49
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide
CID 55620091
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide
CID 55363866
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 55727249
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide (CID 55369407) is N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is IIOZZTPSFHKYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-13-8-9-17(22)16(10-13)21-18(23)7-3-4-12-11-20-15-6-2-1-5-14(12)15/h1-2,5-6,8-11,20,22H,3-4,7H2,(H,21,23).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide?
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 328.80 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 55369407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).