4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide

C19H22ClNO3 — CID 100502725

IUPAC4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-14(17-6-3-4-7-18(17)23-2)21-19(22)8-5-13-24-16-11-9-15(20)10-12-16/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyQRTGXICTZPCJBL-AWEZNQCLSA-N
MW347.84 g/mol
LogP4.39
Rot. Bonds8

About 4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide

4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide (PubChem CID 100502725) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
PubChem CID100502725
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-14(17-6-3-4-7-18(17)23-2)21-19(22)8-5-13-24-16-11-9-15(20)10-12-16/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyQRTGXICTZPCJBL-AWEZNQCLSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.39
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

N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide
CID 8008912
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 26618385
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81387871
4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132652702
3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 51947174
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882671
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882670
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55366862
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide
CID 26004861

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide (CID 100502725) is 4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide is COc1ccccc1[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide?
The InChIKey is QRTGXICTZPCJBL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-14(17-6-3-4-7-18(17)23-2)21-19(22)8-5-13-24-16-11-9-15(20)10-12-16/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide?
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide has a molecular weight of 347.84 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 100502725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).