N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide

C21H17Cl2FN2O — CID 168853785

IUPACN-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CN(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C21H17Cl2FN2O/c1-14-5-6-15(11-25-14)12-26(13-17-7-8-18(22)10-20(17)23)21(27)16-3-2-4-19(24)9-16/h2-11H,12-13H2,1H3
InChIKeyNJVBYVPVPZKFBA-UHFFFAOYSA-N
MW403.28 g/mol
LogP5.68
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide

N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 168853785) has the molecular formula C21H17Cl2FN2O and a molecular weight of 403.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID168853785
Molecular FormulaC21H17Cl2FN2O
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CN(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C21H17Cl2FN2O/c1-14-5-6-15(11-25-14)12-26(13-17-7-8-18(22)10-20(17)23)21(27)16-3-2-4-19(24)9-16/h2-11H,12-13H2,1H3
InChIKeyNJVBYVPVPZKFBA-UHFFFAOYSA-N
XLogP5.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.28
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 168853786
5-[[(2-chlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 166869444
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 166869321
3-bromo-N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853687
2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 168853809
[4-chloro-2-[[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-acetamidobenzenesulfonate
CID 46135749
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 168853808
[5-(diethylamino)-2-[[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate
CID 46135490
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 168853785) is N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide is Cc1ccc(CN(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(F)c2)cn1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is NJVBYVPVPZKFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O/c1-14-5-6-15(11-25-14)12-26(13-17-7-8-18(22)10-20(17)23)21(27)16-3-2-4-19(24)9-16/h2-11H,12-13H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 403.28 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 168853785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).