4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide

C20H22ClNO2 — CID 8892876

IUPAC4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc3c(c2)CCC3)ccc1Cl
InChIInChI=1S/C20H22ClNO2/c1-14-12-18(9-10-19(14)21)24-11-3-6-20(23)22-17-8-7-15-4-2-5-16(15)13-17/h7-10,12-13H,2-6,11H2,1H3,(H,22,23)
InChIKeyAEOOTLDYZQWIFB-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.93
Rot. Bonds6

About 4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide (PubChem CID 8892876) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide
PubChem CID8892876
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc3c(c2)CCC3)ccc1Cl
InChIInChI=1S/C20H22ClNO2/c1-14-12-18(9-10-19(14)21)24-11-3-6-20(23)22-17-8-7-15-4-2-5-16(15)13-17/h7-10,12-13H,2-6,11H2,1H3,(H,22,23)
InChIKeyAEOOTLDYZQWIFB-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273551
4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19191276
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637635
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-methylphenoxy)propanamide
CID 8921028
4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32937961
4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
CID 17485300
4-(4-chloro-3-methylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 51153465
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
propyl 3-[4-(4-chloro-3-methylphenoxy)butanoylamino]benzoate
CID 19191236
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate
CID 7199668

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide (CID 8892876) is 4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide is Cc1cc(OCCCC(=O)Nc2ccc3c(c2)CCC3)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide?
The InChIKey is AEOOTLDYZQWIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-14-12-18(9-10-19(14)21)24-11-3-6-20(23)22-17-8-7-15-4-2-5-16(15)13-17/h7-10,12-13H,2-6,11H2,1H3,(H,22,23).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide has a molecular weight of 343.85 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide is sourced from PubChem (CID 8892876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).