2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide

C21H17Cl2NO2 — CID 16559317

IUPAC2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
SMILESCOc1ccc(C(NC(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C21H17Cl2NO2/c1-26-17-10-7-15(8-11-17)20(14-5-3-2-4-6-14)24-21(25)18-13-16(22)9-12-19(18)23/h2-13,20H,1H3,(H,24,25)
InChIKeyUCULCMNCGCYQEU-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.52
Rot. Bonds5

About 2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide

2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide (PubChem CID 16559317) has the molecular formula C21H17Cl2NO2 and a molecular weight of 386.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
PubChem CID16559317
Molecular FormulaC21H17Cl2NO2
Molecular Weight386.28 g/mol
Exact Mass385.06
IUPAC Name2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
SMILESCOc1ccc(C(NC(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C21H17Cl2NO2/c1-26-17-10-7-15(8-11-17)20(14-5-3-2-4-6-14)24-21(25)18-13-16(22)9-12-19(18)23/h2-13,20H,1H3,(H,24,25)
InChIKeyUCULCMNCGCYQEU-UHFFFAOYSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 27830567
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
CID 46523092
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
CID 55875751
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide (CID 16559317) is 2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide is COc1ccc(C(NC(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1.
What is the InChIKey of 2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide?
The InChIKey is UCULCMNCGCYQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO2/c1-26-17-10-7-15(8-11-17)20(14-5-3-2-4-6-14)24-21(25)18-13-16(22)9-12-19(18)23/h2-13,20H,1H3,(H,24,25).
What are the key properties of 2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide?
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide has a molecular weight of 386.28 g/mol, XLogP of 5.52, 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-[(4-methoxyphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 16559317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).