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

C21H17Cl2FN2O2 — CID 166870320

IUPACN-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1ccc(CO)nc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2FN2O2/c22-17-6-5-16(20(23)9-17)12-26(11-14-4-7-19(13-27)25-10-14)21(28)15-2-1-3-18(24)8-15/h1-10,27H,11-13H2
InChIKeyMQHGXLFYVHRUJU-UHFFFAOYSA-N
MW419.28 g/mol
LogP4.86
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide (PubChem CID 166870320) has the molecular formula C21H17Cl2FN2O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide
PubChem CID166870320
Molecular FormulaC21H17Cl2FN2O2
Molecular Weight419.28 g/mol
Exact Mass418.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1ccc(CO)nc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2FN2O2/c22-17-6-5-16(20(23)9-17)12-26(11-14-4-7-19(13-27)25-10-14)21(28)15-2-1-3-18(24)8-15/h1-10,27H,11-13H2
InChIKeyMQHGXLFYVHRUJU-UHFFFAOYSA-N
XLogP4.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

fluopicolide TP1
CID 139595967
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[[5-(hydroxymethyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 23625239
2-Chloro-N-[[4,4-difluoro-1-[6-(1-hydroxy-1-methyl-ethyl)-3-pyridyl]cyclohexyl]methyl]benzamide
CID 86716318
(2S)-2-[(2,4-dichlorobenzoyl)-(3-pyridylmethyl)amino]-3-phenyl-propanoic acid
CID 504692
5-[[(2,3-Dichlorophenyl)methyl-(3,5-difluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 166869451
2-[(2,4-Dichlorophenyl)methyl-(pyridin-3-ylmethyl)carbamoyl]benzoic acid
CID 2726784
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 56787826
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
CID 72018439
2-(3,5-dichlorophenyl)-2-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 75436856
[4-Chloro-2-(a-hydroxybenzyl)]-isonicotinanilide
CID 23316387
O-(2-Pyridinylmethyl) 4-chlorobenzoyl(phenyl)thiocarbamate
CID 391226
[5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-pyridin-3-ylmethanone
CID 401995

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide (CID 166870320) is N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide is O=C(c1cccc(F)c1)N(Cc1ccc(CO)nc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide?
The InChIKey is MQHGXLFYVHRUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O2/c22-17-6-5-16(20(23)9-17)12-26(11-14-4-7-19(13-27)25-10-14)21(28)15-2-1-3-18(24)8-15/h1-10,27H,11-13H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide?
N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide has a molecular weight of 419.28 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 166870320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).