3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide

C23H21Cl2NO2 — CID 70988226

IUPAC3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide
SMILESC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H21Cl2NO2/c1-16(26-23(27)19-9-12-21(24)22(25)14-19)13-17-7-10-20(11-8-17)28-15-18-5-3-2-4-6-18/h2-12,14,16H,13,15H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyJMXGVNVWFFLWIK-INIZCTEOSA-N
MW414.33 g/mol
LogP5.93
Rot. Bonds7

About 3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide

3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide (PubChem CID 70988226) has the molecular formula C23H21Cl2NO2 and a molecular weight of 414.33 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide
PubChem CID70988226
Molecular FormulaC23H21Cl2NO2
Molecular Weight414.33 g/mol
Exact Mass413.09
IUPAC Name3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide
SMILESC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H21Cl2NO2/c1-16(26-23(27)19-9-12-21(24)22(25)14-19)13-17-7-10-20(11-8-17)28-15-18-5-3-2-4-6-18/h2-12,14,16H,13,15H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyJMXGVNVWFFLWIK-INIZCTEOSA-N
XLogP5.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.33
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
2-[[6-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677412
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
1,4-dichloroisoquinoline-7-carbonyl chloride;1,4-dichloro-N-(1-phenylpropan-2-yl)isoquinoline-7-carboxamide
CID 160572687
N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
CID 41380086
N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 63012845
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide (CID 70988226) is 3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide is C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide?
The InChIKey is JMXGVNVWFFLWIK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21Cl2NO2/c1-16(26-23(27)19-9-12-21(24)22(25)14-19)13-17-7-10-20(11-8-17)28-15-18-5-3-2-4-6-18/h2-12,14,16H,13,15H2,1H3,(H,26,27)/t16-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide?
3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide has a molecular weight of 414.33 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 70988226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).