2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide

C18H19Cl2NO2 — CID 27830567

IUPAC2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc([C@@H](NC(=O)c2cc(Cl)ccc2Cl)C(C)C)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-11(2)17(12-4-7-14(23-3)8-5-12)21-18(22)15-10-13(19)6-9-16(15)20/h4-11,17H,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyVFZUZDZKYXXTND-KRWDZBQOSA-N
MW352.26 g/mol
LogP5.13
Rot. Bonds5

About 2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide

2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide (PubChem CID 27830567) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
PubChem CID27830567
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc([C@@H](NC(=O)c2cc(Cl)ccc2Cl)C(C)C)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-11(2)17(12-4-7-14(23-3)8-5-12)21-18(22)15-10-13(19)6-9-16(15)20/h4-11,17H,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyVFZUZDZKYXXTND-KRWDZBQOSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048819
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
4-chloro-N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-nitrobenzamide
CID 55395120
2,5-dichloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]benzamide
CID 16563714
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047
3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide
CID 55395267
5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 55395143
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
N-[(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-4-methoxy-2-propan-2-yloxybenzamide
CID 66977384
phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate
CID 60709177

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide (CID 27830567) is 2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide is COc1ccc([C@@H](NC(=O)c2cc(Cl)ccc2Cl)C(C)C)cc1.
What is the InChIKey of 2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is VFZUZDZKYXXTND-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-11(2)17(12-4-7-14(23-3)8-5-12)21-18(22)15-10-13(19)6-9-16(15)20/h4-11,17H,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of 2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 352.26 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 27830567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).