5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide

C20H24ClNO2 — CID 141125104

IUPAC5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide
SMILESCC(C)CCOc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-14(2)11-12-24-19-10-9-17(21)13-18(19)20(23)22-15(3)16-7-5-4-6-8-16/h4-10,13-15H,11-12H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyPVVDOHHXXRYDHD-HNNXBMFYSA-N
MW345.87 g/mol
LogP5.26
Rot. Bonds7

About 5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide

5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 141125104) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide
PubChem CID141125104
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide
SMILESCC(C)CCOc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-14(2)11-12-24-19-10-9-17(21)13-18(19)20(23)22-15(3)16-7-5-4-6-8-16/h4-10,13-15H,11-12H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyPVVDOHHXXRYDHD-HNNXBMFYSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide
CID 141125141
4-[(1S)-1-[[2-[(2-aminophenyl)methoxy]-5-chlorobenzoyl]amino]ethyl]benzoic acid
CID 70328500
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
2-(3-methylbutoxy)-N-[[(1R)-1-phenylethyl]carbamothioyl]benzamide
CID 9206226
5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide
CID 141125072
ethyl 4-[(1S)-1-[[5-chloro-2-(2-propan-2-yloxyethoxy)benzoyl]amino]ethyl]benzoate
CID 68880285
5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
CID 975653
5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 141442192
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
ethyl 2-[5-chloro-2-(3-methylbutoxy)phenyl]-2-oxoacetate
CID 91656412
2-[(5-chloro-2-heptoxybenzoyl)amino]propanoic acid
CID 69205141

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide (CID 141125104) is 5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide is CC(C)CCOc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is PVVDOHHXXRYDHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-14(2)11-12-24-19-10-9-17(21)13-18(19)20(23)22-15(3)16-7-5-4-6-8-16/h4-10,13-15H,11-12H2,1-3H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide?
5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 345.87 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 141125104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).